SCHEMBL6306407

SCHEMBL6306407

Cc1cc(C)c(-c2cccc3c(O)cc(C)nc23)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.60
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
METAP2 P50579 1/20 0.37
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL6093075 0.82 CRHR1 (0.60) CRHR1KDM4ETDP1KMT2AMEN1
SCHEMBL6025654 0.82 CRHR1 (0.61) CRHR1KDM4ETDP1
SCHEMBL6215236 0.79 TP53 (0.54) KDM4ETDP1KMT2AMEN1METAP2
SCHEMBL7226248 0.77 CRHR1 (0.58) CRHR1KDM4EKMT2AMEN1
SCHEMBL5600109 0.76 CRHR1 (0.83) CRHR1
SCHEMBL7615502 0.76 CRHR1 (0.60) CRHR1KDM4ETDP1KMT2AMEN1
SCHEMBL27476315 0.76 GAA (0.38) CRHR1KDM4ETDP1KMT2AMEN1
SCHEMBL7226595 0.76 CRHR1 (0.51) CRHR1KDM4ETDP1KMT2AMEN1
SCHEMBL6094492 0.75 CRHR1 (0.56) CRHR1KMT2AMEN1TP53
SCHEMBL7681680 0.75 CRHR1 (0.53) CRHR1KDM4EKMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6875769-B2 Substituted6,6-hetero-bicyclicderivatives PFIZER INC. (US) 2005-04-05 US disclosed
EP-0925298-B1 SUBSTITUTED 6,6-HETERO-BICYCLIC DERIVATIVES PFIZER (US) 2004-04-14 EP disclosed
US-20030114671-A1 Substituted6,6-hetero-bicyclicderivatives CHEN YUHPYNG L (US) 2003-06-19 US disclosed
EP-0925298-A1 SUBSTITUTED 6,6-HETERO-BICYCLIC DERIVATIVES PFIZER INC. (US) 1999-06-30 EP disclosed
WO-1998008846-A1 SUBSTITUTED 6,6-HETERO-BICYCLIC DERIVATIVES PFIZER INC. (US) 1998-03-05 WO 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 (1 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-20030114671-A1 Substituted6,6-hetero-bicyclicderivatives CYP2D6, CYP2B6, CYP2A6 CRHR1 2119/4885KDM4E 914/4885TDP1 2925/4885

“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.