SCHEMBL74178

SCHEMBL74178

CC(C)(C)Cc1ccc(OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.52
PPARA Q07869 4/20 0.40
PPARG P37231 3/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
ACACB O00763 2/20 0.39
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
CHRNA4 P43681 1/20 0.34
ELANE P08246 1/20 0.34
KIF11 P52732 1/20 0.34
RIPK1 Q13546 1/20 0.33
ESR2 Q92731 1/20 0.33
CASR P41180 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15869175 0.89 ESR1 (0.42) ESR1PPARAPPARGTHRATHRB
SCHEMBL1912680 0.83 ALDH1A1 (0.49) ESR1SLC6A4SLC6A3CASRALDH1A1
SCHEMBL777692 0.83 ESR1 (0.48) ESR1PPARAPPARGTHRATHRB
SCHEMBL19559014 0.82 ESR1 (0.39) ESR1ACACBSLC6A2SLC6A3KIF11
SCHEMBL197077 0.81 ELANE (0.50) ESR1PPARAPPARGACACBSLC6A2
SCHEMBL3480017 0.81 ESR1 (0.56) ESR1PPARGTHRATHRBSLC6A2
SCHEMBL11946587 0.81 ESR1 (0.47) ESR1PPARAPPARGTHRATHRB
SCHEMBL12093766 0.81 PPARA (0.37) ESR1PPARAPPARGACACBSLC6A2
SCHEMBL6685103 0.80 ESR1 (0.74) ESR1THRATHRBSLC6A2SLC6A4
SCHEMBL26746 0.80 SLC6A2 (0.44) PPARAPPARGACACBSLC6A2SLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12019371-B2 Photosensitive composition, film, color filter, solid-state imaging element, and image display device FUJIFILM CORPORATION (JP) 2024-06-25 US disclosed
US-11857635-B2 Linker compound, polyethylene glycol-linker conjugate and derivative thereof and polyethylene glycol-linker-drug conjugate JENKEM TECHNOLOGY CO., LTD. (TIANJIN) (CN) 2024-01-02 US disclosed
US-20230295105-A1 PIPERIDINEDIONE DERIVATIVES INNOCURE THERAPEUTICS, INC. (KR) 2023-09-21 US disclosed
US-11730817-B2 Pro-cyclic dinucleotides and pro-cyclic dinucleotide conjugates for cytokine induction INVIVOGEN (FR) 2023-08-22 US disclosed
US-20230234912-A1 NOVEL ANALOGS OF PTEROSTILBENE AMINO ACID BEARING CARBONATES FOR TREATING A NON-ALCOHOLIC FATTY LIVER DISEASE AND NONALCOHOLIC STEATOHEPATITIS APICAL MOLECULAR BIOTECH CO., LTD. (TW) 2023-07-27 US disclosed
US-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. 2023-04-27 US disclosed
US-10696690-B2 Imidazo-oxadiazole and imidazo-thiadiazole derivatives ARES TRADING S.A. (CH) 2020-06-30 US disclosed
US-10244619-B2 Circuit board KURARAU CO., LTD. (JP) 2019-03-26 US disclosed
US-10197914-B2 Positive photosensitive resin composition, photo-curable dry film and method for producing the same, patterning process, and laminate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-02-05 US disclosed
US-10040751-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2018-08-07 US disclosed
US-20120165566-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-06-28 US disclosed
US-8129561-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2012-03-06 US disclosed
US-20110263818-A1 Peptidic Constructs with Amino Acid Surrogates PALATIN TECHNOLOGIES, INC. (US) 2011-10-27 US disclosed
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds IMC EXPLORATION COMPANY 2011-10-06 US disclosed
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-09-24 US disclosed
US-7553842-B2 Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases ARRAY BIOPHARMA INC. (US) 2009-06-30 US disclosed
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-05-28 US disclosed
US-7521420-B2 Macrocyclic antagonists of the motilin receptor TRANZYME PHARMA, INC. (CA) 2009-04-21 US disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10040751-B2 Intermediates for macrocyclic compounds MLNR, CCKAR, CHRM2 ESR1 1929/4885PPARA 2167/4885PPARG 782/4885
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 ESR1 2200/4885PPARA 2018/4885PPARG 735/4885
US-20120165566-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 ESR1 2200/4885PPARA 2018/4885PPARG 735/4885
US-20110263818-A1 Peptidic Constructs with Amino Acid Surrogates ARGLU1, QRFPR, ARG1 ESR1 1411/4885PPARA 3444/4885PPARG 3674/4885
US-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES CD2BP2, CD2, CD47 ESR1 991/4885PPARA 4170/4885PPARG 4561/4885
US-11730817-B2 Pro-cyclic dinucleotides and pro-cyclic dinucleotide conjugates for cytokine induction STING1, CGAS, TLR9 ESR1 3545/4885PPARA 1863/4885PPARG 2341/4885
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds MLNR, CHRM2, CHRM1 ESR1 2200/4885PPARA 2018/4885PPARG 735/4885
US-20230295105-A1 PIPERIDINEDIONE DERIVATIVES CRBN, CUL1, PSMB10 ESR1 3997/4885PPARA 2349/4885PPARG 3139/4885
US-20230234912-A1 NOVEL ANALOGS OF PTEROSTILBENE AMINO ACID BEARING CARBONATES FOR TREATING A NON-ALCOHOLIC FATTY LIVER DISEASE AND NONALCOHOLIC STEATOHEPATITIS FABP1, GLS2, SLC1A5 ESR1 1659/4885PPARA 59/4885PPARG 123/4885
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 ESR1 1939/4885PPARA 2154/4885PPARG 778/4885
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 ESR1 1251/4885PPARA 1020/4885PPARG 524/4885
US-10197914-B2 Positive photosensitive resin composition, photo-curable dry film and method for producing the same, patterning process, and laminate SUV39H1, JMJD6, EZH1 ESR1 1793/4885PPARA 4592/4885PPARG 4595/4885
US-10696690-B2 Imidazo-oxadiazole and imidazo-thiadiazole derivatives APP, BACE1, PSEN1 ESR1 4610/4885PPARA 620/4885PPARG 809/4885
US-11857635-B2 Linker compound, polyethylene glycol-linker conjugate and derivative thereof and polyethylene glycol-linker-drug conjugate DCLRE1A, LANCL2, SI ESR1 1495/4885PPARA 2376/4885PPARG 2783/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.