SCHEMBL9880778

SCHEMBL9880778

COc1cc(C)cc(CC[C@@H]2[C@@]3(C)CCCC(C)(C)C3CC[C@@]2(C)O)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.53
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
CETP P11597 4/20 0.39
ALOX15 P16050 2/20 0.36
ALOX12 P18054 2/20 0.36
NR1H4 Q96RI1 2/20 0.33
PTPN1 P18031 1/20 0.33
ACHE P22303 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3CB P42338 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
TRPA1 O75762 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
SCHEMBL14196119 0.90 TRPV1 (0.61) TRPV1ALDH1A1MAPTMEN1CYP3A4
SCHEMBL9880784 0.88 TRPV1 (0.44) TRPV1ALDH1A1MAPTMEN1CYP3A4
SCHEMBL9880775 0.80 TRPV1 (0.52) TRPV1ALDH1A1MAPTMEN1CYP3A4
SCHEMBL9880776 0.80 TRPV1 (0.52) TRPV1ALDH1A1MAPTMEN1CYP3A4
SCHEMBL14196113 0.78 TRPV1 (0.51) TRPV1ALDH1A1MAPTMEN1CYP3A4
SCHEMBL9880762 0.76 TRPV1 (0.54) TRPV1ALDH1A1MAPTMEN1CYP3A4
SCHEMBL14196120 0.74 TRPV1 (0.44) TRPV1ALDH1A1MAPTMEN1CYP3A4
SCHEMBL9883114 0.74 TRPV1 (0.44) TRPV1ALDH1A1MAPTMEN1CYP3A4
SCHEMBL9880771 0.74 TRPV1 (0.69) TRPV1ALDH1A1MAPTMEN1CYP3A4
SCHEMBL12234290 0.72 TRPV1 (0.64) TRPV1ALDH1A1MAPTMEN1CYP3A4

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 TRPV1 958/4885ALDH1A1 2237/4885MAPT 4883/4885
US-20120129925-A1 SHIP 1 MODULATORS PPP1R10, SACM1L, PPP1R1B TRPV1 2062/4885ALDH1A1 1182/4885MAPT 4334/4885

“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.