SCHEMBL2362174

SCHEMBL2362174

Cc1ccc(-c2ccc(F)cc2)cc1C1=C(O)C2(CCC3(CCCO3)CC2)OC1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
ACACB O00763 11/20 0.35
ACACA Q13085 11/20 0.35
PGR P06401 2/20 0.32
IL2 P60568 1/20 0.31
NPY5R Q15761 1/20 0.31
ABL1 P00519 2/20 0.31
NR3C1 P04150 1/20 0.31
NR3C2 P08235 1/20 0.31
THRB P10828 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
SCHEMBL2362177 1.00 HDAC1 (0.38) HDAC1HDAC2ACACBACACAPGR
SCHEMBL8280826 1.00 HDAC1 (0.38) HDAC1HDAC2ACACBACACAPGR
SCHEMBL2363192 0.90 ACACB (0.44) ACACBACACAPGRTHRB
SCHEMBL12029780 0.87 ACACB (0.39) ACACBACACAIL2NPY5RABL1
SCHEMBL2351536 0.86 THRB (0.40) ACACBACACAIL2ABL1THRB
SCHEMBL12231733 0.82
SCHEMBL6113881 0.80 CNR1 (0.37) ACACBACACATHRB
SCHEMBL8280831 0.80 CNR1 (0.37) ACACBACACATHRB
SCHEMBL6113884 0.80 CNR1 (0.37) ACACBACACATHRB
SCHEMBL2363403 0.80 CNR1 (0.36) ACACBACACAPGRNPY5R

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-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US claimed
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
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US 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-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY AKR1B1, AKR1C3, AKR1A1 HDAC1 748/4885HDAC2 836/4885ACACB 310/4885
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY CYP46A1, LIPC, CYP27A1 HDAC1 699/4885HDAC2 832/4885ACACB 85/4885

“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.