SCHEMBL2354885

SCHEMBL2354885

CCCCC(=O)Cc1ccc(OC2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.45
ALDH1A1 P00352 3/20 0.44
ALOX12 P18054 1/20 0.44
TSHR P16473 1/20 0.44
ACACB O00763 4/20 0.43
EPHX2 P34913 1/20 0.43
GRM2 Q14416 1/20 0.43
HTT P42858 1/20 0.43
PARP10 Q53GL7 1/20 0.42
NAAA Q02083 2/20 0.42
FFAR1 O14842 1/20 0.41
ADRB2 P07550 1/20 0.41
ACACA Q13085 1/20 0.41

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
SCHEMBL2349110 0.80 THRA (0.46) RORCALDH1A1HTT
SCHEMBL10839780 0.80 ACACB (0.51) ALDH1A1ALOX12TSHRACACBEPHX2
SCHEMBL2347990 0.78 THRA (0.57) ALDH1A1TSHRACACBEPHX2GRM2
SCHEMBL2347868 0.77 EPHX2 (0.54) ALDH1A1ALOX12TSHRACACBEPHX2
SCHEMBL10743710 0.76 HTT (0.54) HTT
SCHEMBL13412909 0.76 THRA (0.55) ALDH1A1ALOX12TSHRACACBEPHX2
SCHEMBL2348567 0.76 ALDH1A1 (0.49) ALDH1A1ALOX12TSHRACACBEPHX2
SCHEMBL2352038 0.76 ALDH1A1 (0.49) ALDH1A1ALOX12TSHRACACBEPHX2
SCHEMBL4964015 0.75 ALDH1A1 (0.50) ALDH1A1ALOX12TSHRACACBGRM2
SCHEMBL2354923 0.74 PARP10 (0.50) ALDH1A1ALOX12TSHRACACBEPHX2

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 RORC 45/4885ALDH1A1 315/4885ALOX12 201/4885
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF AGER, PSEN2, PSEN1 RORC 64/4885ALDH1A1 461/4885ALOX12 375/4885
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, PSEN2, PSEN1 RORC 64/4885ALDH1A1 461/4885ALOX12 375/4885

“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.