SCHEMBL2347868

SCHEMBL2347868

COC(=O)Cc1ccc(OC2CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.54
ALDH1A1 P00352 3/20 0.51
TSHR P16473 1/20 0.51
ACACB O00763 3/20 0.49
POLB P06746 1/20 0.49
CYP19A1 P11511 2/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
NAAA Q02083 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPT P10636 1/20 0.47
PARP10 Q53GL7 1/20 0.46
FAAH O00519 1/20 0.46

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
SCHEMBL17610717 0.95 PARP10 (0.51) EPHX2ALDH1A1TSHRACACBCYP4F2
SCHEMBL16828657 0.92 CYP4F2 (0.53) EPHX2ALDH1A1TSHRACACBCYP19A1
SCHEMBL10839780 0.84 ACACB (0.51) EPHX2ALDH1A1TSHRACACBPOLB
SCHEMBL2347990 0.83 THRA (0.57) EPHX2ALDH1A1TSHRACACBCYP19A1
SCHEMBL13412909 0.81 THRA (0.55) EPHX2ALDH1A1TSHRACACBNAAA
SCHEMBL1808785 0.80 LIPE (0.49) ALDH1A1ACACBCYP4F2CYP4A11MAPT
SCHEMBL1808783 0.80 LIPE (0.49) ALDH1A1ACACBCYP4F2CYP4A11MAPT
SCHEMBL2350458 0.80 SIGMAR1 (0.46) EPHX2ALDH1A1TSHRACACBNAAA
SCHEMBL2348567 0.80 ALDH1A1 (0.49) EPHX2ALDH1A1TSHRACACBCYP19A1
SCHEMBL2352038 0.80 ALDH1A1 (0.49) EPHX2ALDH1A1TSHRACACBCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536283-B1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA LLC (US) 2015-07-29 EP disclosed
US-9045461-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-06-02 US disclosed
US-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, LLC (US) 2014-07-24 US disclosed
US-8741900-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2014-06-03 US disclosed
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2013-08-01 US disclosed
US-8431575-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-04-30 US disclosed
EP-2536283-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TransTech Pharma, Inc (US) 2012-12-26 EP disclosed
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-09-22 US disclosed
WO-2011103091-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-08-25 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 (3 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-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, NOD2, GPBAR1 EPHX2 385/4885ALDH1A1 315/4885TSHR 3321/4885
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF AGER, PSEN2, PSEN1 EPHX2 213/4885ALDH1A1 461/4885TSHR 3965/4885
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, PSEN2, PSEN1 EPHX2 213/4885ALDH1A1 461/4885TSHR 3965/4885

“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.