SCHEMBL2980561

SCHEMBL2980561

COc1cc(/C=C\c2ccc(OC)cc2[N+](=O)[O-])cc(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.74
PTGS2 P35354 2/20 0.60
PTGS1 P23219 1/20 0.60
CYP1A2 P05177 7/20 0.59
CYP1A1 P04798 7/20 0.59
CYP1B1 Q16678 7/20 0.59
MAPT P10636 3/20 0.59
MAPK1 P28482 3/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C19 P33261 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP2E1 P05181 1/20 0.59
CYP2C8 P10632 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2A6 P11509 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP4B1 P13584 1/20 0.59
CYP2B6 P20813 1/20 0.59

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
SCHEMBL2980565 1.00 CYP19A1 (0.74) CYP19A1PTGS2PTGS1CYP1A2CYP1A1
SCHEMBL14046248 0.92 CYP19A1 (0.64) CYP19A1PTGS2PTGS1CYP1A2CYP1A1
SCHEMBL227065 0.90 TLR9 (0.60) CYP19A1PTGS2PTGS1CYP1A2CYP1A1
SCHEMBL227066 0.90 TLR9 (0.60) CYP19A1PTGS2PTGS1CYP1A2CYP1A1
SCHEMBL5071907 0.86 CYP1A2 (0.66) CYP19A1PTGS2CYP1A2CYP1A1CYP1B1
SCHEMBL5071908 0.86 CYP1A2 (0.66) CYP19A1PTGS2CYP1A2CYP1A1CYP1B1
SCHEMBL11745232 0.84 CYP19A1 (0.72) CYP19A1CYP1A2CYP1A1CYP1B1MAPT
SCHEMBL11745227 0.84 CYP19A1 (0.72) CYP19A1CYP1A2CYP1A1CYP1B1MAPT
SCHEMBL15938082 0.83 CYP19A1 (0.51) CYP19A1CYP1A2CYP1A1CYP1B1MAPT
SCHEMBL15938083 0.83 CYP19A1 (0.51) CYP19A1CYP1A2CYP1A1CYP1B1MAPT

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-7781580-B2 Stilbene derivatives as new cancer therapeutic agents VIRGINIA COMMONWEALTH UNIVERSITY (US) 2010-08-24 US disclosed
US-20080261982-A1 STILBENE DERIVATIVES AS NEW CANCER THERAPEUTIC AGENTS VIRGINIA COMMONWEALTH UNIVERSITY 2008-10-23 US disclosed
US-20080261982-A1 STILBENE DERIVATIVES AS NEW CANCER THERAPEUTIC AGENTS VIRGINIA COMMONWEALTH UNIVERSITY 2008-10-23 US disclosed
US-20080261982-A1 STILBENE DERIVATIVES AS NEW CANCER THERAPEUTIC AGENTS VIRGINIA COMMONWEALTH UNIVERSITY 2008-10-23 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 (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-20080261982-A1 STILBENE DERIVATIVES AS NEW CANCER THERAPEUTIC AGENTS HDGF, TIE1, VEGFA CYP19A1 2015/4885PTGS2 252/4885PTGS1 44/4885

“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.