SCHEMBL1839808

SCHEMBL1839808

CCCCCCc1ccccc1OC(=O)Nc1ccccc1Cc1ccccc1NC(=O)Oc1ccccc1CCCCCC

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ PPARA Q07869 2/20 0.47
▸ PPARG P37231 1/20 0.47
▸ FAAH O00519 6/20 0.45
▸ POLB P06746 1/20 0.43
▸ EBP Q15125 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ LIPG Q9Y5X9 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
SCHEMBL1842680 1.00 THRA (0.57) THRATHRBPPARAPPARGFAAH
SCHEMBL1836186 1.00 THRA (0.57) THRATHRBPPARAPPARGFAAH
SCHEMBL1838252 0.99 THRA (0.55) THRATHRBPPARAPPARGFAAH
SCHEMBL1836423 0.95 THRA (0.50) THRATHRBFAAHPOLB
SCHEMBL1836314 0.89 THRA (0.43) THRATHRBFAAHPOLB
SCHEMBL1953123 0.85 THRA (0.53) THRATHRBPPARAPPARGFAAH
SCHEMBL1952617 0.85 THRA (0.53) THRATHRBPPARAPPARGFAAH
SCHEMBL1954276 0.85 THRA (0.53) THRATHRBPPARAPPARGFAAH
SCHEMBL1952597 0.85 THRA (0.53) THRATHRBPPARAPPARGFAAH
SCHEMBL1952296 0.85 THRA (0.53) THRATHRBPPARAPPARGFAAH

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 2483/4885PPARA 611/4885

“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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