SCHEMBL12265773

SCHEMBL12265773

CCCCCCCCc1cc2cc3cc4cc(CCCCCCCC)sc4cc3cc2s1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KDM4E B2RXH2 1/20 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
SCHEMBL559602 1.00 PTGS2 (0.36) PTGS2KCNH2GPR35CYP3A4ALDH1A1
SCHEMBL2367919 1.00 PTGS2 (0.36) PTGS2KCNH2GPR35CYP3A4ALDH1A1
SCHEMBL2496088 0.96 PTGS2 (0.38) PTGS2KCNH2GPR35CYP3A4ALDH1A1
SCHEMBL2469032 0.96 PTGS2 (0.38) PTGS2KCNH2GPR35CYP3A4ALDH1A1
SCHEMBL13299960 0.96 PTGS2 (0.38) PTGS2KCNH2GPR35CYP3A4ALDH1A1
SCHEMBL17970826 0.93 PTGS2 (0.33) PTGS2KCNH2GPR35MAPT
SCHEMBL18643477 0.92 PTGS2 (0.32) PTGS2KCNH2GPR35MAPT
SCHEMBL17970676 0.89 GPR35 (0.32) PTGS2KCNH2GPR35MAPT
SCHEMBL18435064 0.87 — —
SCHEMBL17970822 0.87 HDAC3 (0.38) PTGS2CYP3A4ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816100-B2 Compound, method of producing the compound, organic semiconductor material and organic semiconductor device HIROSHIMA UNIVERSITY (JP) 2014-08-26 — — US disclosed
US-20140051865-A1 DESCRIPTION NOVEL COMPUND, METHOD OF PRODUCING THE COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL AND ORGANIC SEMICONDUCTOR DEVICE HIROSHIMA UNIVERSITY (JP) 2014-02-20 — — US disclosed
US-20110224445-A1 Novel Compound, Method of Producing the Compound, Organic Semiconductor Material and Organic Semiconductor Device HIROSHIMA UNIVERSITY (JP) 2011-09-15 — — US 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-20110224445-A1 Novel Compound, Method of Producing the Compound, Organic Semiconductor Material and Organic Semiconductor Device TST, SCLY, SELENOI PTGS2 2702/4885KCNH2 782/4885GPR35 3640/4885

“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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