SCHEMBL317559

SCHEMBL317559

COc1cccc(C2CCCC2=O)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.63
DDB1 Q16531 1/20 0.59
CRBN Q96SW2 1/20 0.59
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP19A1 P11511 1/20 0.49
HTR2C P28335 2/20 0.49
PRKACA P17612 1/20 0.44
ROCK1 Q13464 1/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL182434 0.95 DDB1 (0.58) GID4DDB1CRBNMEN1NPC1
SCHEMBL4128714 0.94 DDB1 (0.57) GID4DDB1CRBNMEN1NPC1
SCHEMBL21286784 0.90 DDB1 (0.67) GID4DDB1CRBNMEN1NPC1
SCHEMBL318046 0.83 GID4 (0.43) GID4DDB1CRBNMEN1KMT2A
SCHEMBL16937274 0.82 DDB1 (0.52) GID4DDB1CRBNMEN1NPC1
SCHEMBL11194330 0.81 DDB1 (0.56) GID4DDB1CRBNMEN1NPC1
SCHEMBL11637205 0.80 DDB1 (0.55) DDB1CRBNMEN1NPC1KMT2A
SCHEMBL11534052 0.80 SMN1; SMN2 (0.46) GID4DDB1CRBNMEN1KMT2A
SCHEMBL12852999 0.79 GID4 (0.68) GID4DDB1CRBNMEN1NPC1
SCHEMBL15012600 0.79 GID4 (0.61) GID4DDB1CRBNMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103328451-B Compounds for the reduction of beta-amyloid production BRISTOL MYERS SQUIBB CO 2015-06-10 CN disclosed
CN-103328451-A Compounds for the reduction of beta-amyloid production BRISTOL MYERS SQUIBB CO 2013-09-25 CN disclosed
US-8093302-B2 Substituted tetralins as selective estrogen receptor-β agonists ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-8093302-B2 Substituted tetralins as selective estrogen receptor-β agonists ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
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
US-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2010-09-30 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
CN-1090184-C Heterocyclic compounds FUJISAWA PHARMACEUTICAL CO (JP) 2002-09-04 CN disclosed
EP-0736018-B1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2000-07-05 EP disclosed
US-6025375-A INHIBITORY ACTIVITY ON PLATELET AGGREGATION, VASODILATING ACTIVITY, ANTIHYPERTENSIVE ACTIVITY OR THE LIKE AND ARE PROSTAGLANDIN I.SUB.2 AGONISTS, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-15 US disclosed
CN-1046714-C Diaryl oxazole derivative and its preparation method, application and pharmaceutical composition FUJISAWA PHARMACEUTICAL CO (JP) 1999-11-24 CN disclosed
CN-1229795-A Heterocyclic compounds FUJISAWA PHARMACEUTICAL CO (JP) 1999-09-29 CN disclosed
CN-1138328-A Heterocyclic compounds FUJISAWA PHARMACEUTICAL CO (JP) 1996-12-18 CN disclosed
EP-0736018-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-09 EP disclosed
WO-1995017393-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-06-29 WO disclosed
US-4079141-A ANALGESICS AMERICAN HOECHST CORPORATION (US) 1978-03-14 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-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ESR2, ERLIN1, ESRRG GID4 1860/4885DDB1 2574/4885CRBN 708/4885

“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.