SCHEMBL1836314

SCHEMBL1836314

CCCc1ccccc1OC(=O)Nc1ccccc1Cc1ccccc1NC(=O)Oc1ccccc1CCC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ PPARD Q03181 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TSHR P16473 1/20 0.39

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
SCHEMBL1836423 0.92 THRA (0.50) THRATHRBL3MBTL1POLBFAAH
SCHEMBL1838252 0.91 THRA (0.55) THRATHRBPOLBFAAH
SCHEMBL1836123 0.90 HTT (0.46) L3MBTL1POLBFAAHTAS1R3TAS1R1
SCHEMBL1836186 0.89 THRA (0.57) THRATHRBPOLBFAAH
SCHEMBL1842680 0.89 THRA (0.57) THRATHRBPOLBFAAH
SCHEMBL1839808 0.89 THRA (0.57) THRATHRBPOLBFAAH
SCHEMBL1954918 0.84 NLRP3 (0.52) L3MBTL1POLBHTTHSD17B10TSHR
SCHEMBL20558680 0.83 ALDH1A1 (0.53) THRATHRBPPARDHSD17B10
SCHEMBL15105035 0.83 NLRP3 (0.44) L3MBTL1KMT2A
SCHEMBL1835368 0.82 L3MBTL1 (0.47) L3MBTL1POLBKMT2A

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 2483/4885PPARD 855/4885

“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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