SCHEMBL487560

SCHEMBL487560

COc1ccc(C(C)C)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 3/20 0.50
XBP1 P17861 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
HDAC4 P56524 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
TPMT P51580 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
APP P05067 1/20 0.46

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
SCHEMBL2493749 0.86 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDXBP1LCK
SCHEMBL26723819 0.86 HPGD (0.49) ALDH1A1KDM4EHPGDXBP1HDAC4
SCHEMBL20801865 0.84 ADRA1D (0.50) ALDH1A1HPGDXBP1HDAC4HDAC8
SCHEMBL4317654 0.84 ALDH1A1 (0.50) ALDH1A1TDP1HSD17B10POLBMEN1
SCHEMBL19236936 0.84 HPGD (0.51) ALDH1A1HPGDXBP1HDAC4HDAC8
SCHEMBL5355608 0.83 PTGS2 (0.49) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL19374620 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL9810575 0.83 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDXBP1LCK
SCHEMBL5992775 0.82 MAPT (0.55) ALDH1A1KDM4EHPGDXBP1MAPT
SCHEMBL24413627 0.81 TSHR (0.53) ALDH1A1KDM4EHSD17B10ACHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
WO-2023168367-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS IMMUNESENSOR THERAPEUTICS, INC. (US) 2023-09-07 WO disclosed
US-9765018-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-19 US disclosed
US-9765018-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-19 US disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20160200674-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-9353066-B2 Substituted phenyl-Spleen Tyrosine Kinase (Syk) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
US-20160137595-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-19 US disclosed
US-20150232428-A1 SUBSTITUTED PHENYL-SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-08-20 US disclosed
US-20080306054-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2008-12-11 US disclosed
WO-2008130953-A2 2-IMIN0IS0THIAZ0LE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-30 WO disclosed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 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 (7 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-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma HSP90AB2P, HSP90AA1, HSP90AB1 ALDH1A1 377/4885KDM4E 3534/4885HPGD 46/4885
US-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS ALDH1A1 4407/4885KDM4E 3314/4885HPGD 788/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS ALDH1A1 4236/4885KDM4E 4338/4885HPGD 905/4885
US-20160200674-A1 IDO INHIBITORS IDO1, IDO2, INMT ALDH1A1 996/4885KDM4E 200/4885HPGD 312/4885
US-20080306054-A1 Pharmaceutical Compounds HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 891/4885KDM4E 3573/4885HPGD 700/4885
US-20160137595-A1 IDO INHIBITORS IDO1, IDO2, TDO2 ALDH1A1 321/4885KDM4E 368/4885HPGD 43/4885
US-20150232428-A1 SUBSTITUTED PHENYL-SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN ALDH1A1 4019/4885KDM4E 524/4885HPGD 4141/4885

“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.