SCHEMBL2474437

SCHEMBL2474437

Cc1cc(C=O)c(C)c(Br)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 6/20 0.38
TSHR P16473 2/20 0.38
ERN1 O75460 5/20 0.37
PRKDC P78527 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MPI P34949 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL17408849 0.82 ALDH1A1 (0.38) CYP1A2ALDH1A1TSHRERN1PRKDC
SCHEMBL19760899 0.82 ALDH1A1 (0.38) CYP1A2ALDH1A1TSHRERN1PRKDC
SCHEMBL2925324 0.81 ERN1 (0.52) CYP1A2ALDH1A1TSHRERN1CYP3A4
SCHEMBL1313141 0.78 ALDH1A1 (0.42) CYP1A2ALDH1A1TSHRERN1PRKDC
SCHEMBL25768537 0.77 ERN1 (0.47) CYP1A2ALDH1A1TSHRERN1PRKDC
SCHEMBL6825324 0.77 ALDH1A1 (0.40) CYP1A2ALDH1A1TSHRERN1PRKDC
SCHEMBL7700297 0.74 ALDH1A1 (0.39) CYP1A2ALDH1A1TSHRERN1PRKDC
SCHEMBL1793576 0.74 CYP1A2 (0.52) CYP1A2ALDH1A1TSHRCYP3A4
SCHEMBL1708271 0.73 ALDH1A1 (0.43) CYP1A2ALDH1A1TSHRERN1PRKDC
SCHEMBL310346 0.73 ALDH1A1 (0.38) CYP1A2ALDH1A1TSHRERN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
CN-1816536-B Cannabinoid receptor modulators TAKAEDA CHEMICAL IND LTD 2012-12-26 CN disclosed
EP-1411052-B1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2011-10-05 EP disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 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-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
US-7208495-B2 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
CN-1816536-A Cannabinoid receptor modulators TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-08-09 CN disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 EP disclosed
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-26 US disclosed
EP-1411052-A1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-04-21 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 (6 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-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 CYP1A2 227/4885ALDH1A1 1463/4885TSHR 511/4885
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use CBR1, DBH, PARK7 CYP1A2 105/4885ALDH1A1 1019/4885TSHR 2562/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CYP1A2 227/4885ALDH1A1 1463/4885TSHR 511/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CYP1A2 227/4885ALDH1A1 1463/4885TSHR 511/4885
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof CYP8B1, PARK7, OXER1 CYP1A2 79/4885ALDH1A1 1308/4885TSHR 4232/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CYP1A2 227/4885ALDH1A1 1463/4885TSHR 511/4885

“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.