SCHEMBL2354489

SCHEMBL2354489

COC[C@H]1CC[C@@](NC(=O)Cc2cc(Br)ccc2C)(C(=O)OC)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.34
ACACB O00763 2/20 0.33
ACACA Q13085 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 2/20 0.33
CCR5 P51681 4/20 0.33
TSHR P16473 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
POLB P06746 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL14689285 1.00 FFAR4 (0.34) FFAR4ACACBACACAMEN1KMT2A
SCHEMBL12458499 1.00 FFAR4 (0.34) FFAR4ACACBACACAMEN1KMT2A
SCHEMBL12458498 0.90 FFAR4 (0.33) FFAR4MEN1KMT2ARAB9ACCR5
SCHEMBL731914 0.89 ACACB (0.36) FFAR4ACACBACACAMEN1KMT2A
SCHEMBL12458430 0.89 HPGD (0.36) ACACBACACAKMT2ARAB9ACCR5
SCHEMBL14689448 0.89 HPGD (0.36) ACACBACACAKMT2ARAB9ACCR5
SCHEMBL2355461 0.89 HPGD (0.36) ACACBACACAKMT2ARAB9ACCR5
SCHEMBL12456922 0.88 LMNA (0.38) FFAR4MEN1KMT2ARAB9ATSHR
SCHEMBL14689830 0.88 LMNA (0.38) FFAR4MEN1KMT2ARAB9ATSHR
SCHEMBL14689831 0.88 LMNA (0.38) FFAR4MEN1KMT2ARAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278925-B2 Substituted 3-(biphenyl-3-yl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-08 US disclosed
US-20140275199-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-18 US disclosed
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
EP-2536686-A1 CYCLIC KETO-ENOLS FOR THERAPY Bayer Intellectual Property GmbH (DE) 2012-12-26 EP disclosed
WO-2011098433-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 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 (2 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-20140275199-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE MALT1, UGT1A3, BMI1 FFAR4 848/4885ACACB 1121/4885ACACA 1826/4885
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY AKR1B1, AKR1C3, AKR1A1 FFAR4 1774/4885ACACB 310/4885ACACA 541/4885

“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.