SCHEMBL9880786

SCHEMBL9880786

C=Cc1cc(OC)c(OC)c(C(O)C[C@@H]2[C@@]3(C)CCCC(C)(C)C3CC[C@@]2(C)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP19A1 P11511 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
RPS6KA5 O75582 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
CETP P11597 2/20 0.33
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32
CDC25A P30304 1/20 0.30
DUSP3 P51452 1/20 0.30
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL9880776 0.88 TRPV1 (0.52) ALDH1A1MAPTKMT2ATRPV1MEN1
SCHEMBL9883113 0.84 MAPT (0.36) ALDH1A1MAPTKMT2ATRPV1MEN1
SCHEMBL14196112 0.84 MAPT (0.36) ALDH1A1MAPTKMT2ATRPV1MEN1
SCHEMBL9880785 0.81 ALDH1A1 (0.42) ALDH1A1MAPTKMT2ATRPV1MEN1
SCHEMBL9880777 0.77 TRPV1 (0.47) ALDH1A1MAPTKMT2ATRPV1MEN1
SCHEMBL9880761 0.73 TRPV1 (0.52) ALDH1A1MAPTKMT2ATRPV1MEN1
SCHEMBL14196119 0.71 TRPV1 (0.61) ALDH1A1MAPTKMT2ATRPV1MEN1
SCHEMBL20640796 0.71 ALDH1A1 (0.54) ALDH1A1MAPTKMT2ATRPV1MEN1
SCHEMBL20640871 0.71 ALDH1A1 (0.54) ALDH1A1MAPTKMT2ATRPV1MEN1
SCHEMBL14196120 0.71 TRPV1 (0.44) ALDH1A1MAPTKMT2ATRPV1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765994-B2 Ship 1 modulators THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-07-01 US disclosed
US-8765994-B2 Ship 1 modulators THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-07-01 US disclosed
US-20120129925-A1 SHIP 1 MODULATORS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-05-24 US disclosed
US-20120129925-A1 SHIP 1 MODULATORS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-05-24 US disclosed
US-20080090909-A1 negative regulator of cell growth factor receptor; pelorol (benzo(a)fluorene) related compounds from marine sponge species; antiinflammatory, antitumor agent, immunostimulant; control gene expression, differentiation, metabolism, phospholipid signaling pathway, signal tansduction THE UNIVERSITY OF BRITISH COLUMBIA 2008-04-17 US disclosed
US-20080090909-A1 negative regulator of cell growth factor receptor; pelorol (benzo(a)fluorene) related compounds from marine sponge species; antiinflammatory, antitumor agent, immunostimulant; control gene expression, differentiation, metabolism, phospholipid signaling pathway, signal tansduction THE UNIVERSITY OF BRITISH COLUMBIA 2008-04-17 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 (2 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-20080090909-A1 negative regulator of cell growth factor receptor; pelorol (benzo(a)fluorene) related compounds from marine sponge species; antiinflammatory, antitumor agent, immunostimulant; control gene expression, differentiation, metabolism, phospholipid signaling pathway, signal tansduction STAT1, STING1, IRF3 ALDH1A1 2237/4885MAPT 4883/4885KMT2A 3758/4885
US-20120129925-A1 SHIP 1 MODULATORS PPP1R10, SACM1L, PPP1R1B ALDH1A1 1182/4885MAPT 4334/4885KMT2A 2755/4885

“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.