SCHEMBL5891133

SCHEMBL5891133

CCCCCC1(O)Cc2ccccc2ON1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
CYP2D6 P10635 3/20 0.33
CYP2C19 P33261 3/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 2/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL6130741 0.71 CYP2D6 (0.40) ALOX12CYP2D6CYP2C19TSHRCYP1A2
SCHEMBL6528884 0.69 CYP2D6 (0.38) ALOX12CYP2D6CYP2C19TSHRCYP1A2
SCHEMBL9007789 0.69 CYP2D6 (0.38) ALOX12CYP2D6CYP2C19TSHRCYP1A2
SCHEMBL27449585 0.68 ALOX12 (0.36) ALOX12
SCHEMBL4560646 0.68 CYP2D6 (0.37) ALOX12OPRM1OPRL1CYP2D6CYP2C19
SCHEMBL6130758 0.66 CYP2D6 (0.40) ALOX12OPRM1OPRL1CYP2D6CYP2C19
SCHEMBL27636983 0.65 SIGMAR1 (0.40) ALOX12CYP2D6CYP2C19TSHRCYP1A2
SCHEMBL29084802 0.63 ALOX12 (0.38) ALOX12OPRM1OPRD1OPRK1OPRL1
SCHEMBL10474919 0.62 ALDH1A1 (0.47) ALOX12TSHRADRA2ASMN1; SMN2MEN1
SCHEMBL15975017 0.62 LMNA (0.42) OPRM1OPRD1OPRK1OPRL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018138739-A1 NOVEL ANTIESTROGENIC HETEROCYCLIC COMPOUNDS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2018-08-02 WO disclosed
US-7015219-B2 3-aryl-hydroxybenzoxazines and 3, 4-dihydro-3-aryl-hydroxybenzoxazines as selective estrogen receptor beta modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-21 US disclosed
US-20030195207-A1 3-Aryl-hydroxybenzoxazines and 3, 4-dihydro-3-aryl-hydroxybenzoxazines as selective estrogen receptor beta modulators BRISTOL-MYERS SQUIBB COMPANY 2003-10-16 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-20030195207-A1 3-Aryl-hydroxybenzoxazines and 3, 4-dihydro-3-aryl-hydroxybenzoxazines as selective estrogen receptor beta modulators ESR2, GPER1, ESR1 ALOX12 261/4885OPRM1 245/4885OPRD1 259/4885

“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.