SCHEMBL9538528

SCHEMBL9538528

Fc1ccc(OC2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 9/20 0.61
▸ PARP10 Q53GL7 1/20 0.47
▸ TRPA1 O75762 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ PTGS1 P23219 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ APP P05067 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.42
▸ FAAH O00519 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
SCHEMBL16242402 0.98 EPHX2 (0.58) EPHX2PARP10TRPA1HPGDALDH1A1
SCHEMBL17123795 0.93 EPHX2 (0.54) EPHX2PARP10TRPA1ALDH1A1TSHR
SCHEMBL9572108 0.89 EPHX2 (0.57) EPHX2PARP10ADRB2FAAH
SCHEMBL30045 0.89 EPHX2 (0.57) EPHX2PARP10ADRB2FAAH
SCHEMBL9572112 0.89 EPHX2 (0.57) EPHX2PARP10ADRB2FAAH
SCHEMBL2242868 0.89 PARP10 (0.55) EPHX2PARP10HPGDALDH1A1TSHR
SCHEMBL5722140 0.85 EPHX2 (0.47) EPHX2PARP10TRPA1ADRB2FAAH
SCHEMBL19838848 0.81 HRH1 (0.58) EPHX2HRH3
SCHEMBL26012610 0.80 PARP10 (0.53) EPHX2PARP10HPGDALDH1A1TSHR
SCHEMBL623629 0.80 PARP10 (0.53) EPHX2PARP10HPGDALDH1A1TSHR

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
JP-5032971-A — — None — — JP disclosed
US-20170327457-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-11-16 — — US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — US disclosed
JP-H0532971-A NEMATIC LIQUID CRYSTAL COMPOSITION DAINIPPON INK & CHEM INC 1993-02-09 — — JP 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 EPHX2 1144/4885PARP10 1539/4885TRPA1 3697/4885
US-20170327457-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS GPR88, GPR55, GPR180 EPHX2 2672/4885PARP10 950/4885TRPA1 178/4885

“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.

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