SCHEMBL12004642

SCHEMBL12004642

Oc1ccc(-c2cccc(C(c3ccc(O)cc3)c3ccc(O)cc3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
HSD17B1 P14061 4/20 0.57
HSD17B2 P37059 4/20 0.57
ABL1 P00519 2/20 0.53
ABCB1 P08183 2/20 0.53
BCR P11274 2/20 0.53
ESR2 Q92731 7/20 0.52
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
MMP3 P08254 2/20 0.48
BCL2L1 Q07817 1/20 0.48
ALOX5 P09917 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42

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
SCHEMBL12922964 0.92 ESR1 (0.74) ESR1MEN1KMT2AHSD17B1HSD17B2
SCHEMBL12922924 0.88 ESR1 (0.68) ESR1MEN1KMT2AHSD17B1HSD17B2
SCHEMBL1758100 0.85 ESR1 (0.47) ESR1MEN1KMT2AHSD17B1HSD17B2
SCHEMBL18637069 0.85 ESR1 (0.48) ESR1MEN1KMT2AHSD17B1HSD17B2
SCHEMBL18381150 0.85 ESR1 (0.48) ESR1MEN1KMT2AHSD17B1HSD17B2
SCHEMBL18642918 0.84 ESR1 (0.47) ESR1MEN1KMT2AHSD17B1HSD17B2
SCHEMBL3045847 0.83 MMP3 (0.64) ESR1MEN1KMT2AHSD17B1HSD17B2
SCHEMBL22238270 0.83 MMP3 (0.64) ESR1MEN1KMT2AHSD17B1HSD17B2
SCHEMBL12922919 0.83 MMP3 (0.71) ESR1MEN1KMT2AHSD17B1HSD17B2
SCHEMBL2862193 0.83 MMP3 (0.71) ESR1MEN1KMT2AHSD17B1HSD17B2

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-8816135-B2 Trisphenol compound HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2014-08-26 US disclosed
US-20120220805-A1 NOVEL TRISPHENOL COMPUND HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2012-08-30 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-20120220805-A1 NOVEL TRISPHENOL COMPUND NCOR1, NCOR2, NCOA1 ESR1 40/4885MEN1 4005/4885KMT2A 2710/4885

“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.