SCHEMBL318367

SCHEMBL318367

COc1cccc(C2COCC2O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.50
HTR2A P28223 2/20 0.50
HTR2B P41595 2/20 0.50
SLC9A1 P19634 1/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C19 P33261 3/20 0.43
HIF1A Q16665 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP19A1 P11511 1/20 0.43
POLB P06746 1/20 0.43
NFKB1 P19838 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL29042969 0.78 HTR2C (0.60) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL318824 0.76 HTR2A (0.52) HTR2CHTR2AHTR2BSLC9A1CYP19A1
SCHEMBL10108910 0.76 HTR2A (0.52) HTR2CHTR2AHTR2BSLC9A1CYP19A1
SCHEMBL317822 0.76 HTR2C (0.51) HTR2CHTR2AHTR2BSLC9A1CHRM2
SCHEMBL318344 0.76 HTR2C (0.51) HTR2CHTR2AHTR2BSLC9A1CHRM2
SCHEMBL318343 0.76 HTR2C (0.51) HTR2CHTR2AHTR2BSLC9A1CHRM2
SCHEMBL765244 0.76 HTR2C (0.51) HTR2CHTR2AHTR2BSLC9A1CHRM2
SCHEMBL9007090 0.76 HTR2C (0.51) HTR2CHTR2AHTR2BSLC9A1ALDH1A1
SCHEMBL25497739 0.76 KDM1A (0.51) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL25187274 0.76 KDM1A (0.51) HTR2CHTR2AHTR2BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093302-B2 Substituted tetralins as selective estrogen receptor-β agonists ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2010-09-30 US disclosed
EP-1853578-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2007-11-14 EP disclosed
WO-2006088716-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2006-08-24 WO 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-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ESR2, ERLIN1, ESRRG HTR2C 356/4885HTR2A 404/4885HTR2B 372/4885

“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.