SCHEMBL856046

SCHEMBL856046

COc1cc(CC(C)(C)C)cc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
CYP19A1 P11511 1/20 0.48
CALM1 P0DP23 3/20 0.41
AKR1B1 P15121 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
TSHR P16473 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PTGS2 P35354 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
MAPK1 P28482 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 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
SCHEMBL10026838 0.87 TACR1 (0.42) ALDH1A1CYP19A1CALM1CYP1A1CYP1B1
SCHEMBL14882621 0.86 DAO (0.44) ALDH1A1CYP19A1CALM1AKR1B1CA1
SCHEMBL13547916 0.86 CYP4F2 (0.39) ALDH1A1CYP19A1CALM1TSHRCA1
SCHEMBL9885348 0.82 RXRA (0.44) ALDH1A1CYP19A1CALM1
SCHEMBL10207847 0.82 ALDH1A1 (0.48) ALDH1A1CYP19A1CALM1AKR1B1CYP1A1
SCHEMBL20090425 0.81 CYP19A1 (0.59) CYP19A1CALM1AKR1B1PTGS2GABRA1
SCHEMBL10213407 0.81 CYP19A1 (0.35) ALDH1A1CYP19A1CALM1AKR1B1CA1
SCHEMBL10293222 0.80 ALDH1A1 (0.46) ALDH1A1CYP19A1CALM1AKR1B1CYP1A1
SCHEMBL21727714 0.79 ALDH1A1 (0.44) ALDH1A1CYP19A1CALM1AKR1B1CYP1A1
SCHEMBL73635 0.79 TAAR1 (0.56) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374006-A1 HETEROARYL COMPOUNDS AND USES THEREOF APRINOIA THERAPEUTICS LIMITED (CN) 2023-11-23 US disclosed
US-20230374006-A1 HETEROARYL COMPOUNDS AND USES THEREOF APRINOIA THERAPEUTICS LIMITED (CN) 2023-11-23 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-11584714-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-02-21 US disclosed
US-20230047178-A1 HETEROARYL COMPOUNDS AND USES THEREOF APRINOIA THERAPEUTICS INC. (CN) 2023-02-16 US disclosed
US-20230042837-A1 CYCLIC COMPOUNDS FOR TREATING CANCER UNIVERSITY OF SOUTH FLORIDA 2023-02-09 US disclosed
US-20230008571-A1 CYCLIC COMPOUNDS FOR TREATING CARDIOVASCULAR DISORDERS AND WOUNDS UNIVERSITY OF SOUTH FLORIDA 2023-01-12 US disclosed
US-20210253569-A1 HETEROARYL COMPOUNDS AND USES THEREOF APRINOIA THERAPEUTICS INC. (CN) 2021-08-19 US disclosed
US-11078233-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2021-08-03 US disclosed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 US disclosed
US-20080280899-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-21 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-20080132525-A1 isoforms DNMT1 and DNMT3b2; for example: 2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phenethylamino)-9H-purin-9-yl)-tetrahydrofuran-2-yl)methylthio)butanoic acid METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132525-A1 isoforms DNMT1 and DNMT3b2; for example: 2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phenethylamino)-9H-purin-9-yl)-tetrahydrofuran-2-yl)methylthio)butanoic acid METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2007-05-24 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 (16 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-11078233-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP ALDH1A1 1694/4885CYP19A1 390/4885CALM1 4369/4885
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity CCR7, ACKR3, CCR2 ALDH1A1 1954/4885CYP19A1 551/4885CALM1 4479/4885
US-20230374006-A1 HETEROARYL COMPOUNDS AND USES THEREOF MAPT, APP, SLCO1B3 ALDH1A1 1918/4885CYP19A1 2074/4885CALM1 1301/4885
US-11584714-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 ALDH1A1 4701/4885CYP19A1 4531/4885CALM1 1559/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 ALDH1A1 4701/4885CYP19A1 4531/4885CALM1 1559/4885
US-20080280899-A1 Inhibitors of Akt Activity AKT1, AKT2, AKT3 ALDH1A1 3486/4885CYP19A1 2558/4885CALM1 1573/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP ALDH1A1 3887/4885CYP19A1 543/4885CALM1 4257/4885
US-20210253569-A1 HETEROARYL COMPOUNDS AND USES THEREOF MAPT, APP, SLCO1B3 ALDH1A1 1918/4885CYP19A1 2074/4885CALM1 1301/4885
US-20230047178-A1 HETEROARYL COMPOUNDS AND USES THEREOF MAPT, APP, SLCO1B3 ALDH1A1 1918/4885CYP19A1 2074/4885CALM1 1301/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK ALDH1A1 148/4885CYP19A1 1043/4885CALM1 1278/4885
US-20230008571-A1 CYCLIC COMPOUNDS FOR TREATING CARDIOVASCULAR DISORDERS AND WOUNDS TNNI3, EGFR, BDKRB2 ALDH1A1 3967/4885CYP19A1 3040/4885CALM1 953/4885
US-20080132525-A1 isoforms DNMT1 and DNMT3b2; for example: 2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phenethylamino)-9H-purin-9-yl)-tetrahydrofuran-2-yl)methylthio)butanoic acid DNMT3B, DNMT1, DNMT3L ALDH1A1 216/4885CYP19A1 1349/4885CALM1 3127/4885
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 ALDH1A1 728/4885CYP19A1 805/4885CALM1 3566/4885
US-20090137601-A1 L-Phenylalanine Derivatives ITGB5, ITGB1, ITGA2B ALDH1A1 1156/4885CYP19A1 4808/4885CALM1 327/4885
US-20230042837-A1 CYCLIC COMPOUNDS FOR TREATING CANCER EGFR, ERBB3, ERBB2 ALDH1A1 4556/4885CYP19A1 4076/4885CALM1 2619/4885
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, GPR18 ALDH1A1 2247/4885CYP19A1 709/4885CALM1 785/4885

“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.