SCHEMBL4291569

SCHEMBL4291569

COc1ccc(C2=Cc3ccc(OC(C)=O)cc3OC2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
RARA P10276 2/20 0.49
RARB P10826 2/20 0.49
RARG P13631 2/20 0.49
ALDH1A1 P00352 3/20 0.48
PTGS2 P35354 2/20 0.47
ALOX5 P09917 1/20 0.45
CYP19A1 P11511 2/20 0.42
MAPT P10636 4/20 0.42
NR1H4 Q96RI1 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
ATM Q13315 1/20 0.40
PTGS1 P23219 1/20 0.40
CYP3A4 P08684 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
SCHEMBL2072026 0.97 KMT2A (0.49) KMT2ARARARARBRARGALDH1A1
SCHEMBL2069736 0.88 ALOX5 (0.51) KMT2ARARARARBRARGALDH1A1
SCHEMBL2071380 0.86 RARA (0.48) KMT2ARARARARBRARGALDH1A1
SCHEMBL2069601 0.84 ALOX5 (0.50) KMT2ARARARARBRARGALDH1A1
SCHEMBL2070579 0.83 MAPT (0.46) KMT2ARARARARBRARGALDH1A1
SCHEMBL4287708 0.82 RARA (0.45) KMT2ARARARARBRARGALDH1A1
SCHEMBL2070069 0.82 MAPT (0.50) KMT2ARARARARBRARGALDH1A1
SCHEMBL4295886 0.81 RARA (0.42) KMT2ARARARARBRARGALDH1A1
SCHEMBL616710 0.80 RARA (0.49) RARARARBRARGPTGS2CYP19A1
SCHEMBL2069685 0.78 RARA (0.42) KMT2ARARARARBRARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF NOVOGEN RESEARCH PTY LTD (AU) 2009-09-17 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 (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-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB KMT2A 3920/4885RARA 2668/4885RARB 2101/4885

“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.