SCHEMBL4556762

SCHEMBL4556762

CCCCOc1ccc(C2=Cc3ccc(OCCCC)cc3OC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.42
CYP3A4 P08684 6/20 0.42
CYP19A1 P11511 9/20 0.42
CYP2C9 P11712 9/20 0.42
CYP2C19 P33261 9/20 0.42
CYP1A2 P05177 7/20 0.42
ALOX5 P09917 1/20 0.42
RARB P10826 4/20 0.40
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
LMNA P02545 2/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL12946430 0.93 ALOX5 (0.43) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL2937052 0.83 RARA (0.40) ALOX5RARBRARARARGALDH1A1
SCHEMBL4556548 0.79 ALOX5 (0.42) CYP3A4ALOX5LMNAKDM4EALDH1A1
SCHEMBL4556779 0.77 THRA (0.37) CYP3A4CYP19A1ALOX5LMNAKDM4E
SCHEMBL14402262 0.75 ALOX5 (0.43) ALOX5TSHR
SCHEMBL2742798 0.75 MAPT (0.39) ALOX5RARBRARARARGKDM4E
SCHEMBL949460 0.75 MAOB (0.51) ALOX5NPC1ALDH1A1MAPTRAB9A
SCHEMBL4556517 0.73 ESR1 (0.46)
SCHEMBL2071380 0.72 RARA (0.48) ALOX5RARBRARARARGLMNA
SCHEMBL4549090 0.72 MAOB (0.47) ALOX5RARBRARARARGNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507549-B2 Methods for synthesizing glycinols, glyceollins I and II and isoflavenes and chromanes using a Wittig reaction, and compositions made therewith THE UNIVERSITY OF TOLEDO (US) 2013-08-13 US disclosed
US-20120115942-A1 Methods for Synthesizing Glycinols, Glyceollins I and II and Isoflavenes and Chromanes Using A Wittig Reaction, and Compositions Made Therewith THE UNIVERSITY OF TOLEDO 2012-05-10 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-20120115942-A1 Methods for Synthesizing Glycinols, Glyceollins I and II and Isoflavenes and Chromanes Using A Wittig Reaction, and Compositions Made Therewith UGGT1, GCG, UGT8 CYP2D6 611/4885CYP3A4 404/4885CYP19A1 9/4885

“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.