SCHEMBL3044927

SCHEMBL3044927

CC(C)COc1ccc(Cl)cc1CBr

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.52
▸ PTGER1 P34995 14/20 0.52
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ GPR55 Q9Y2T6 1/20 0.49
▸ GAA P10253 1/20 0.45
▸ HIF1A Q16665 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42

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
SCHEMBL14784825 0.87 PTGER1 (0.41) KDM1APTGER1ALDH1A1MAPTTHRB
SCHEMBL13347873 0.86 PTGER1 (0.55) KDM1APTGER1ALDH1A1MAPTTHRB
SCHEMBL4723254 0.86 KDM1A (0.52) KDM1APTGER1ALDH1A1MAPTTHRB
SCHEMBL15076234 0.85 CYP1A2 (0.42) KDM1APTGER1ALDH1A1MAPTTHRB
SCHEMBL18783694 0.85 HTR2A (0.50) KDM1APTGER1ALDH1A1MAPTTHRB
SCHEMBL4720675 0.85 MAPT (0.58) KDM1APTGER1ALDH1A1MAPTTHRB
SCHEMBL14784911 0.84 PTGER1 (0.40) KDM1APTGER1ALDH1A1MAPTTHRB
SCHEMBL4722473 0.81 PTGER1 (0.48) KDM1APTGER1ALDH1A1MAPTTHRB
SCHEMBL9967704 0.80 KDM1A (0.56) KDM1AALDH1A1MAPTGAACYP1A2
SCHEMBL18783949 0.79 MAPT (0.58) ALDH1A1MAPTGPR55HIF1ANPSR1

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-2766344-B1 EP1 RECEPTOR LIGANDS ESTEVE LABOR DR (ES) 2017-05-03 — — EP disclosed
US-20100041590-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 — — US disclosed
US-20100041590-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 — — US disclosed
US-20100041590-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 — — US disclosed
EP-2099782-A2 ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) SmithKline Beecham Corporation (US) 2009-09-16 — — EP disclosed
WO-2009056556-A1 SUBSTITUTE 1, 6-NAPHTHYRIDINES FOR USE AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-07 — — WO disclosed
WO-2009056556-A1 SUBSTITUTE 1, 6-NAPHTHYRIDINES FOR USE AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-07 — — WO disclosed
WO-2008074834-A2 ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 — — WO disclosed
WO-2008074834-A2 ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 — — 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 (1 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-20100041590-A1 Compounds SCD, SCD5, CYP11B2 KDM1A 2650/4885PTGER1 928/4885ALDH1A1 603/4885

“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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