SCHEMBL3900081

SCHEMBL3900081

CCCCCCCCCCC=Cc1c(OC)c(Cl)cc(C=O)c1OC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GALK1 P51570 1/20 0.40
▸ OPRM1 P35372 1/20 0.38
▸ FAAH O00519 3/20 0.35
▸ TRPV1 Q8NER1 2/20 0.35
▸ SLC37A4 O43826 1/20 0.35
▸ CCR5 P51681 4/20 0.34
▸ CNR1 P21554 3/20 0.34
▸ EPHX2 P34913 2/20 0.34
▸ CNR2 P34972 2/20 0.33

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
SCHEMBL3900078 1.00 GALK1 (0.40) GALK1OPRM1FAAHTRPV1SLC37A4
SCHEMBL13902236 0.86 CCR5 (0.39) OPRM1FAAHTRPV1SLC37A4CCR5
SCHEMBL13902230 0.78 EPHX2 (0.41) TRPV1SLC37A4CNR1EPHX2CNR2
SCHEMBL3901498 0.76 OPRM1 (0.47) OPRM1FAAHTRPV1CCR5
SCHEMBL3901500 0.76 OPRM1 (0.47) OPRM1FAAHTRPV1CCR5
SCHEMBL13562270 0.68 TOP2A (0.44) TRPV1EPHX2
SCHEMBL10482226 0.68 CYSLTR2 (0.50) FAAHTRPV1CNR1EPHX2CNR2
SCHEMBL8500643 0.68 CYSLTR2 (0.50) FAAHTRPV1CNR1EPHX2CNR2
SCHEMBL8500639 0.68 CYSLTR2 (0.50) FAAHTRPV1CNR1EPHX2CNR2
SCHEMBL9857570 0.68 CYSLTR2 (0.50) FAAHTRPV1CNR1EPHX2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1882523-B Novel phenol derivative, and anti-trypanosomiasis medicine with the phenol derivative as effective ingredient ARIJI KK 2010-11-17 — — CN disclosed
US-7622598-B2 Phenol derivatives and antitrypanosoma preventive/therapeutic agent comprising the same as active ingredient ARIGEN PHARMACEUTICALS, INC. (JP) 2009-11-24 — — US disclosed
EP-1681280-B1 NOVEL PHENOL DERIVATIVES AND ANTITRYPANOSOMA PREVENTIVE/THERAPEUTIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT ARIGEN PHARMACEUTICALS INC (JP) 2009-03-25 — — EP disclosed
US-20070208078-A1 NOVEL PHENOL DERIVATIVES AND ANTITRYPANOSOMA PREVENTIVE/THERAPEUTIC AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT ARIGEN, INC. (JP) 2007-09-06 — — US disclosed
CN-1882523-A Novel phenol derivative, and anti-trypanosomiasis medicine with the phenol derivative as effective ingredient ARIJI KK (JP) 2006-12-20 — — CN disclosed
EP-1681280-A1 NOVEL PHENOL DERIVATIVES AND ANTITRYPANOSOMA PREVENTIVE/THERAPEUTIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT aRigen, Inc. (JP) 2006-07-19 — — EP 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-20070208078-A1 NOVEL PHENOL DERIVATIVES AND ANTITRYPANOSOMA PREVENTIVE/THERAPEUTIC AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT TYR, H1-3, H1-0 GALK1 3126/4885OPRM1 2281/4885FAAH 3398/4885

“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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