SCHEMBL72988

SCHEMBL72988

CC(C)(C)Cc1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.58
IDO1 P14902 3/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
HPGD P15428 1/20 0.46
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
TAAR1 Q96RJ0 3/20 0.43
LMNA P02545 1/20 0.41
AGXT P21549 2/20 0.41
AOC3 Q16853 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ACHE P22303 1/20 0.39
RIPK1 Q13546 2/20 0.39
TRPA1 O75762 1/20 0.39
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL2615503 1.00 ESR1 (0.58) ESR1IDO1LOXL2HPGDTHRA
SCHEMBL13873209 0.93 ESR1 (0.52) ESR1IDO1LOXL2HPGDTHRA
SCHEMBL12012736 0.87 ESR1 (0.47) ESR1HPGDRIPK1
SCHEMBL6685103 0.86 ESR1 (0.74) ESR1THRATHRBTAAR1LMNA
SCHEMBL24244771 0.82 ESR1 (0.42) ESR1IDO1LOXL2HPGDTHRA
SCHEMBL14357053 0.81 HPGD (0.41) ESR1IDO1LOXL2HPGDTAAR1
SCHEMBL349725 0.80 SLC6A2 (0.61) IDO1LOXL2HPGDTAAR1LMNA
SCHEMBL3934371 0.80 IDO1 (0.42) ESR1IDO1LOXL2HPGDTAAR1
SCHEMBL4661340 0.80 IDO1 (0.42) ESR1IDO1LOXL2HPGDTAAR1
SCHEMBL9025476 0.80 TRPA1 (0.44) ESR1IDO1LOXL2HPGDTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 US disclosed
US-12048240-B2 Organic compound, electronic component and electronic apparatus comprising the same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2024-07-23 US disclosed
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240244961-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2024-07-18 US disclosed
US-12024528-B2 Bridged tricyclic carbamoylpyridone compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-02 US disclosed
US-12016896-B2 Dipeptidomimetics as inhibitors of human immunoproteasomes CORNELL UNIVERSITY (US) 2024-06-25 US disclosed
US-12016896-B2 Dipeptidomimetics as inhibitors of human immunoproteasomes CORNELL UNIVERSITY (US) 2024-06-25 US disclosed
WO-2024115465-A1 PHARMACEUTICAL COMPOUNDS AS PARP7 AND/OR PARP1 INHIBITORS Duke Street Bio Limited (GB) 2024-06-06 WO disclosed
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2024-03-05 US disclosed
US-11912714-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-27 US disclosed
US-7192955-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-03-20 US disclosed
US-7192949-B2 Substituted bicyclic pyrimidinones as a mitotic kinesin KSP inhibitors MERCK & CO., INC. (US) 2007-03-20 US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. 2007-01-25 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 US disclosed
US-20070021440-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-01-25 US disclosed
WO-2003020278-A1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES NOVARTIS AG (CH) 2003-03-13 WO 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 (13 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-20070027144-A1 Novel use of cannabinoid receptor agonist CNR2, CNR1, OPRM1 ESR1 163/4885IDO1 1082/4885LOXL2 827/4885
US-12048240-B2 Organic compound, electronic component and electronic apparatus comprising the same PIEZO1, OCIAD1, OSTC ESR1 45/4885IDO1 3351/4885LOXL2 606/4885
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 ESR1 4551/4885IDO1 2639/4885LOXL2 495/4885
US-20070021440-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 ESR1 2462/4885IDO1 366/4885LOXL2 712/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP ESR1 4439/4885IDO1 4695/4885LOXL2 2918/4885
US-11912714-B2 Spiropyrrolidine derived antiviral agents ACE, ACE2, PKD1 ESR1 4773/4885IDO1 1295/4885LOXL2 4780/4885
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof VIP, PTMS, IAPP ESR1 4263/4885IDO1 2643/4885LOXL2 4704/4885
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor GHSR, GHRHR, GIPR ESR1 534/4885IDO1 3963/4885LOXL2 3309/4885
US-20240244961-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS AOX1, AOC2, OSTC ESR1 26/4885IDO1 4374/4885LOXL2 537/4885
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases UBQLN1, PSMB1, UBQLN2 ESR1 2085/4885IDO1 2065/4885LOXL2 1052/4885
US-12024528-B2 Bridged tricyclic carbamoylpyridone compounds and uses thereof SDHA, SDHB, DPYD ESR1 4405/4885IDO1 1734/4885LOXL2 4541/4885
US-20070021428-A1 Immunomodulating heterocyclic compounds CD40, CD40LG, NGFR ESR1 759/4885IDO1 208/4885LOXL2 2729/4885
US-12016896-B2 Dipeptidomimetics as inhibitors of human immunoproteasomes PREP, CTSC, DNPEP ESR1 2196/4885IDO1 44/4885LOXL2 1916/4885

“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.