SCHEMBL3597298

SCHEMBL3597298

Cc1cc(C)c2c(-c3ccc(C(C)C)cc3)coc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
TSHR P16473 3/20 0.42
MAPT P10636 7/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
GSK3B P49841 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 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
SCHEMBL3607741 0.82 THRB (0.40) HPGDTSHRMAPTALDH1A1KMT2A
SCHEMBL3611718 0.81 THRB (0.50) HPGDTSHRMAPTALDH1A1KMT2A
SCHEMBL7195872 0.78 KMT2A (0.51) HPGDTSHRMAPTALDH1A1KMT2A
SCHEMBL6266319 0.70 ALDH1A1 (0.57) HPGDTSHRMAPTALDH1A1KMT2A
SCHEMBL3595172 0.70 ALDH1A1 (0.43) HPGDMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL3604071 0.70 MAPT (0.36) HPGDMAPTKMT2ATHRBLMNA
SCHEMBL3602644 0.70 MAPT (0.36) MAPTKMT2ATHRBLMNAMEN1
SCHEMBL10622413 0.69 ALDH1A1 (0.66) HPGDMAPTALDH1A1KMT2APOLB
SCHEMBL6915325 0.68 LMNA (0.44) HPGDALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL18878412 0.67 KMT2A (0.56) HPGDTSHRMAPTALDH1A1KMT2A

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 HPGD 1416/4885TSHR 511/4885MAPT 4392/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HPGD 1416/4885TSHR 511/4885MAPT 4392/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HPGD 1416/4885TSHR 511/4885MAPT 4392/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HPGD 1416/4885TSHR 511/4885MAPT 4392/4885

“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.