SCHEMBL319593

SCHEMBL319593

COc1ccc(C2Cc3c(C(=O)O)cc(OC)cc3C3CCCCC23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 1/20 0.35
MYC P01106 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
EDNRA P25101 2/20 0.34
EDNRB P24530 1/20 0.34
CDC25B P30305 1/20 0.34

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
SCHEMBL10109246 1.00 SMN1; SMN2 (0.39) SMN1; SMN2PTGDR2MEN1KMT2AKDM4E
SCHEMBL10109283 0.90 PARP10 (0.38) PTGDR2MEN1KMT2ACA1CA2
SCHEMBL10109235 0.90 KDM4E (0.40) SMN1; SMN2MEN1KMT2AKDM4ECA1
SCHEMBL318446 0.90 KDM1A (0.36) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL318328 0.90 PARP10 (0.38) PTGDR2MEN1KMT2ACA1CA2
SCHEMBL10109252 0.90 KDM1A (0.36) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL318636 0.90 KDM4E (0.40) SMN1; SMN2MEN1KMT2AKDM4ECA1
SCHEMBL10109175 0.88 KDM4E (0.40) MEN1KMT2AKDM4ECA1CA2
SCHEMBL319574 0.88 KDM4E (0.40) MEN1KMT2AKDM4ECA1CA2
SCHEMBL10109225 0.83 ESR1 (0.38) KMT2AALDH1A1KDM1AMAOAMAOB

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 SMN1; SMN2 1932/4885PTGDR2 485/4885MEN1 2698/4885

“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.