SCHEMBL3603189

SCHEMBL3603189

Cc1cc(C)c(C)c(OC(C)C(=O)c2ccc(C(C)C)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ HTT P42858 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ AR P10275 1/20 0.36
▸ USP5 P45974 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35
▸ BCHE P06276 2/20 0.35

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
SCHEMBL3598595 0.83 TP53 (0.41) MEN1KMT2ACYP2C9TSHRALDH1A1
SCHEMBL13395961 0.82 MEN1 (0.45) MEN1KMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL658050 0.75 TSHR (0.54) MEN1KMT2ACYP2C9TSHRHTR2A
SCHEMBL10749852 0.69 ALDH1A1 (0.42) MEN1KMT2AALDH1A1HTTHPGD
SCHEMBL195312 0.66 CYP2C9 (0.53) MEN1KMT2ACYP2C9ALDH1A1HTT
SCHEMBL28787119 0.66 CNR1 (0.55) MEN1KMT2ACYP2C9ALDH1A1HTT
SCHEMBL8198173 0.66 ALDH1A1 (0.49) MEN1KMT2ATSHRHTR2AHTR2C
SCHEMBL10709870 0.65 CYP2C9 (0.52) MEN1KMT2ACYP2C9ALDH1A1HTT
SCHEMBL14157460 0.65 TSHR (0.58) KMT2ACYP2C9TSHRHTR2AHTR2C
SCHEMBL8582348 0.64 ALDH1A1 (0.50) MEN1KMT2ATSHRHTR2AHTR2C

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 8 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
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-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 — — US disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 — — 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 (4 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 MEN1 3532/4885KMT2A 1061/4885CYP2C9 184/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MEN1 3532/4885KMT2A 1061/4885CYP2C9 184/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MEN1 3532/4885KMT2A 1061/4885CYP2C9 184/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MEN1 3532/4885KMT2A 1061/4885CYP2C9 184/4885

“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.

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