SCHEMBL2112005

SCHEMBL2112005

c1cc(C2(c3ccsc3)OCCO2)cs1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.36
▸ HCAR3 P49019 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ KCNA3 P22001 1/20 0.32
▸ BACE1 P56817 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL8630769 0.78 HCAR3 (0.38) CHRM1HCAR3HCAR2KCNA3BACE1
SCHEMBL9741477 0.74 CHRM1 (0.37) CHRM1HCAR3HCAR2BACE1KCNH2
SCHEMBL517588 0.69 OPRM1 (0.39) —
SCHEMBL4762122 0.69 OPRM1 (0.30) HCAR3HCAR2
SCHEMBL26627224 0.68 MAOA (0.41) KCNA3
SCHEMBL4765099 0.68 SLC6A4 (0.36) KCNA3
SCHEMBL7338559 0.66 SLC6A2 (0.30) —
SCHEMBL1256099 0.65 CHEK2 (0.39) CHRM1
SCHEMBL9047613 0.63 KCNA3 (0.43) KCNA3
SCHEMBL4446561 0.62 OPRM1 (0.37) CHRM1

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
US-8158275-B2 Fluorine-containing compound and method for producing same, fluorine-containing polymer, organic thin film, and organic thin film device OSAKA UNIVERSITY (JP) 2012-04-17 — — US disclosed
US-20110040055-A1 ELECTROCHROMIC CONJUGATED POLYMERS NATIONAL CENTRAL UNIVERSITY (TW) 2011-02-17 — — US disclosed
US-20110040055-A1 ELECTROCHROMIC CONJUGATED POLYMERS NATIONAL CENTRAL UNIVERSITY (TW) 2011-02-17 — — US disclosed
US-20090240014-A1 FLUORINE-CONTAINING COMPOUND AND METHOD FOR PRODUCING SAME, FLUORINE-CONTAINING POLYMER, ORGANIC THIN FILM, AND ORGANIC THIN FILM DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-09-24 — — US disclosed
EP-1997821-A1 FLUORINE-CONTAINING COMPOUND AND METHOD FOR PRODUCING SAME, FLUORINE-CONTAINING POLYMER, ORGANIC THIN FILM, AND ORGANIC THIN FILM DEVICE Osaka University (JP) 2008-12-03 — — 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-20090240014-A1 FLUORINE-CONTAINING COMPOUND AND METHOD FOR PRODUCING SAME, FLUORINE-CONTAINING POLYMER, ORGANIC THIN FILM, AND ORGANIC THIN FILM DEVICE AFF1, AFF2, RFT1 CHRM1 50/4885HCAR3 1494/4885HCAR2 1675/4885

“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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