SCHEMBL3595149

SCHEMBL3595149

Cc1ccc(-c2coc3c(C)c(C)cc(C)c23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
MAPT P10636 6/20 0.46
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
TP53 P04637 1/20 0.39
ERCC1 P07992 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
ERCC4 Q92889 1/20 0.38
ADORA3 P0DMS8 2/20 0.36
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
PLK4 O00444 1/20 0.33
MAPK13 O15264 1/20 0.33
DYRK3 O43781 1/20 0.33
ROCK2 O75116 1/20 0.33
MAP4K4 O95819 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
SCHEMBL3599398 0.74 MAPT (0.55) THRBMAPTERCC5FEN1GSK3B
SCHEMBL10026575 0.69 ALDH1A1 (0.84) MAPTALDH1A1ALOX15ALOX12ESR1
SCHEMBL5773283 0.68 THRB (0.53) THRBMAPTALDH1A1ALOX15ALOX12
SCHEMBL5898903 0.67 MAPT (0.57) THRBMAPTALDH1A1ALOX12ESR1
SCHEMBL12184598 0.63 SIRT1 (0.79) MAPTALDH1A1ALOX15ALOX12ESR1
SCHEMBL23908222 0.63 TDP1 (0.47) MAPTALDH1A1ESR2ADORA3
SCHEMBL17006477 0.62 ACHE (0.53) MAPTALDH1A1ADORA3CA9
SCHEMBL3611718 0.62 THRB (0.50) THRBMAPTALDH1A1ALOX15ALOX12
SCHEMBL22872154 0.61 TDP1 (0.44) ALDH1A1TP53ADORA3
SCHEMBL28080893 0.61 ESR1 (0.56) ALOX15ALOX12ESR1ESR2ERCC1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689656-B 7-substituted 1-arylnaphthyridine-3-carboxamides and their use 拜耳股份公司 2022-10-04 CN disclosed
CN-112494652-A JAK1 inhibitors for the treatment of myelodysplastic syndrome 因赛特公司 2021-03-16 CN disclosed
CN-110167946-A Sulfonamide compounds with TNAP inhibitory activity 第一三共株式会社 2019-08-23 CN disclosed
CN-109689656-A 7-substituted 1-arylnaphthyridine-3-carboxamides and their use 拜耳股份公司 2019-04-26 CN disclosed
CN-106456773-A JAK1 inhibitors for the treatment of myelodysplastic syndrome 因赛特公司 2017-02-22 CN disclosed
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-7507841-B2 Carbamoylamino-substituted 2,3-dihydro-benzofurans, indoles and benzothiophenes, e.g., (+)-N-((3R)-3-(4-isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide; cerebrovascular disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US disclosed
US-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 EP disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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 (5 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 THRB 558/4885MAPT 4707/4885ALDH1A1 1763/4885
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 THRB 779/4885MAPT 4392/4885ALDH1A1 1463/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 THRB 779/4885MAPT 4392/4885ALDH1A1 1463/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 THRB 779/4885MAPT 4392/4885ALDH1A1 1463/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 THRB 779/4885MAPT 4392/4885ALDH1A1 1463/4885

“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.