SCHEMBL9880774

SCHEMBL9880774

COc1ccc(C(=O)C[C@@H]2[C@@]3(C)CCCC(C)(C)C3CC[C@@]2(C)O)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
PDE4D Q08499 9/20 0.42
PDE4A P27815 7/20 0.42
PDE4B Q07343 7/20 0.42
PDE4C Q08493 7/20 0.42
CTNNB1 P35222 2/20 0.42
WNT3A P56704 2/20 0.42
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CETP P11597 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL15874157 0.84 TRPV1 (0.49) TRPV1MAPTTSHRMEN1ALDH1A1
SCHEMBL15874156 0.84 TRPV1 (0.49) TRPV1MAPTTSHRMEN1ALDH1A1
SCHEMBL9880775 0.79 TRPV1 (0.52) TRPV1MAPTTSHRMEN1ALDH1A1
SCHEMBL9880777 0.77 TRPV1 (0.47) TRPV1PDE4DPDE4APDE4BPDE4C
SCHEMBL9880785 0.76 ALDH1A1 (0.42) TRPV1MAPTTSHRMEN1ALDH1A1
SCHEMBL389597 0.76 TRPV1 (0.47) TRPV1MAPTTSHRMEN1ALDH1A1
SCHEMBL20260224 0.74 TRPV1 (0.48) TRPV1MAPTTSHRMEN1ALDH1A1
SCHEMBL9880759 0.73 TRPV1 (0.52) TRPV1MAPTTSHRMEN1ALDH1A1
SCHEMBL15874082 0.73 TRPV1 (0.47) TRPV1MAPTTSHRMEN1ALDH1A1
SCHEMBL15886596 0.73 TRPV1 (0.47) TRPV1MAPTTSHRMEN1ALDH1A1

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 4 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-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 958/4885PDE4D 1367/4885PDE4A 1213/4885
US-20120129925-A1 SHIP 1 MODULATORS PPP1R10, SACM1L, PPP1R1B TRPV1 2062/4885PDE4D 446/4885PDE4A 240/4885

“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.