SCHEMBL318152

SCHEMBL318152

COc1cccc(C2CCCCC2C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTR2C P28335 4/20 0.47
HTR2A P28223 2/20 0.47
HTR2B P41595 2/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
FFAR1 O14842 2/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL728217 0.89 SLC9A1 (0.52) SLC9A1HTR2CHTR2AHTR2BSLC6A2
SCHEMBL726234 0.85 SLC9A1 (0.49) SLC9A1HTR2CHTR2AHTR2BNPC1
SCHEMBL12020647 0.85 SLC9A1 (0.49) SLC9A1HTR2CHTR2AHTR2BNPC1
SCHEMBL12020630 0.85 SLC9A1 (0.49) SLC9A1HTR2CHTR2AHTR2BNPC1
SCHEMBL12020648 0.85 SLC9A1 (0.49) SLC9A1HTR2CHTR2AHTR2BNPC1
SCHEMBL12020631 0.85 SLC9A1 (0.49) SLC9A1HTR2CHTR2AHTR2BNPC1
SCHEMBL24282690 0.84 SLC9A1 (0.46) SLC9A1MEN1KMT2ANPSR1HTR2C
SCHEMBL7003204 0.84 SLC9A1 (0.67) SLC9A1HTR2CHTR2AHTR2BFFAR1
SCHEMBL21501023 0.84 SLC9A1 (0.67) SLC9A1HTR2CHTR2AHTR2BFFAR1
SCHEMBL10288769 0.84 SLC9A1 (0.67) SLC9A1HTR2CHTR2AHTR2BFFAR1

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 SLC9A1 4256/4885MEN1 2698/4885KMT2A 2706/4885

“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.