SCHEMBL1836423

SCHEMBL1836423

CCCCc1ccccc1OC(=O)Nc1ccccc1Cc1ccccc1NC(=O)Oc1ccccc1CCCC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ POLB P06746 2/20 0.45
▸ FAAH O00519 6/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL1838252 0.96 THRA (0.55) THRATHRBPOLBFAAH
SCHEMBL1836186 0.95 THRA (0.57) THRATHRBPOLBFAAH
SCHEMBL1842680 0.95 THRA (0.57) THRATHRBPOLBFAAH
SCHEMBL1839808 0.95 THRA (0.57) THRATHRBPOLBFAAH
SCHEMBL1836314 0.92 THRA (0.43) THRATHRBPOLBFAAHL3MBTL1
SCHEMBL1836123 0.87 HTT (0.46) POLBFAAHSMN1; SMN2L3MBTL1
SCHEMBL1955305 0.85 NLRP3 (0.50) THRATHRBPOLBFAAHSMN1; SMN2
SCHEMBL467968 0.84 THRA (0.56) THRATHRB
SCHEMBL15105215 0.84 THRA (0.45) THRATHRBFAAHL3MBTL1
SCHEMBL29233075 0.83 FAAH (0.54) THRATHRBFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-30 — — US disclosed
EP-2322504-A1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2011-05-18 — — 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-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH THRA 2001/4885THRB 2483/4885POLB 4314/4885

“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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