SCHEMBL4287708

SCHEMBL4287708

CC(=O)Oc1ccc2c(c1)OCC(c1ccc(Br)cc1)=C2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.45
RARG P13631 4/20 0.45
RARB P10826 2/20 0.45
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA2 P00918 2/20 0.42
CA5A P35218 2/20 0.42
ALOX5 P09917 1/20 0.42
NR1H4 Q96RI1 1/20 0.39
GAPDH P04406 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.38
MAOB P27338 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2071380 0.92 RARA (0.48) RARARARGRARBMAPTALDH1A1
SCHEMBL2069736 0.89 ALOX5 (0.51) RARARARGRARBMAPTALDH1A1
SCHEMBL2070069 0.87 MAPT (0.50) RARARARGRARBMAPTALDH1A1
SCHEMBL2070579 0.84 MAPT (0.46) RARARARGRARBMAPTALDH1A1
SCHEMBL4291569 0.82 KMT2A (0.53) RARARARGRARBMAPTALDH1A1
SCHEMBL2072026 0.81 KMT2A (0.49) RARARARGRARBMAPTALDH1A1
SCHEMBL22383782 0.80 RARA (0.45) RARARARGRARBMAPTALDH1A1
SCHEMBL2069601 0.80 ALOX5 (0.50) RARARARGRARBMAPTALDH1A1
SCHEMBL20259491 0.77 ALOX5 (0.47) RARARARGRARBMAPTALDH1A1
SCHEMBL24288948 0.77 RARA (0.44) RARARARGRARBMAPTALDH1A1

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 RARA 2668/4885RARG 1604/4885RARB 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.