SCHEMBL1953155

SCHEMBL1953155

CCCCCc1ccccc1OC(=O)Nc1cccc(C)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ NLRP3 Q96P20 1/20 0.49
▸ PPARA Q07869 2/20 0.44
▸ PPARG P37231 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 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
SCHEMBL1952597 0.99 THRA (0.53) THRATHRBNLRP3PPARAPPARG
SCHEMBL1951011 0.99 THRA (0.53) THRATHRBNLRP3PPARAPPARG
SCHEMBL1952617 0.99 THRA (0.53) THRATHRBNLRP3PPARAPPARG
SCHEMBL1954303 0.99 THRA (0.53) THRATHRBNLRP3PPARAPPARG
SCHEMBL1952296 0.99 THRA (0.53) THRATHRBNLRP3PPARAPPARG
SCHEMBL1953123 0.99 THRA (0.53) THRATHRBNLRP3PPARAPPARG
SCHEMBL1954276 0.99 THRA (0.53) THRATHRBNLRP3PPARAPPARG
SCHEMBL1955305 0.96 NLRP3 (0.50) THRATHRBNLRP3POLBLMNA
SCHEMBL1954909 0.92 NLRP3 (0.48) THRATHRBNLRP3PPARAPPARG
SCHEMBL1954918 0.91 NLRP3 (0.52) NLRP3POLBLMNAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2679575-B1 PROCESS FOR PRODUCING CARBONYL COMPOUNDS ASAHI CHEMICAL IND (JP) 2019-04-10 — — EP disclosed
US-9714215-B2 Method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-07-25 — — US disclosed
US-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-02-25 — — US disclosed
US-8957241-B2 Method for producing carbonyl compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-02-17 — — US disclosed
US-20130178645-A1 Method for Producing Carbonyl Compund ASAHI KASEI CHEMICALS CORPORATION (JP) 2013-07-11 — — US disclosed
US-20110133121-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-09 — — 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 (3 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-20110133121-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound CPS1, ALKBH3, RCC1 THRA 4461/4885THRB 4723/4885NLRP3 980/4885
US-20130178645-A1 Method for Producing Carbonyl Compund CA6, CPS1, C9 THRA 3616/4885THRB 3836/4885NLRP3 2397/4885
US-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE CPS1, ALKBH3, IDH3A THRA 4586/4885THRB 4745/4885NLRP3 2368/4885

“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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