SCHEMBL2927090

SCHEMBL2927090

CCCCCCCc1ccc(OC(=O)NCC2(C)CC(NC(=O)O)CC(C)(C)C2)c(CCCCCCC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
HTT P42858 3/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
PLK1 P53350 1/20 0.34
MGLL Q99685 1/20 0.34
APAF1 O14727 1/20 0.34
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CNR1 P21554 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
SCHEMBL2929542 1.00 TSHR (0.44) TSHRPPARAPPARGTDP1HTT
SCHEMBL2933085 1.00 TSHR (0.44) TSHRPPARAPPARGTDP1HTT
SCHEMBL2928078 0.99 TSHR (0.45) TSHRPPARAPPARGTDP1HTT
SCHEMBL2929507 0.96 TSHR (0.46) TSHRPPARAPPARGTDP1HTT
SCHEMBL1309265 0.95 TSHR (0.48) TSHRPPARAPPARGTDP1TRPV1
SCHEMBL1024786 0.95 TSHR (0.48) TSHRPPARAPPARGTDP1TRPV1
SCHEMBL1021566 0.95 TSHR (0.48) TSHRPPARAPPARGTDP1TRPV1
SCHEMBL1021096 0.94 TSHR (0.49) TSHRPPARAPPARGTDP1HTT
SCHEMBL2929435 0.91 TSHR (0.47) TSHRTDP1HTTMAPTMEN1
SCHEMBL1021119 0.91 TSHR (0.50) TSHRPPARAPPARGTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637445-B2 Isocyanate production process using composition containing carbamic acid ester and aromatic hydroxy compound, and composition for transfer and storage of carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-05-02 US disclosed
EP-2147909-B1 METHOD FOR PRODUCTION OF ISOCYANATE USING COMPOSITION COMPRISING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSPORT OR STORAGE OF CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2016-12-14 EP disclosed
US-20150259279-A1 Isocyanate Production Process Using Composition Containing Carbamic Acid Ester and Aromatic Hydroxy Compound, and Composition for Transfer and Storage of Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-09-17 US disclosed
US-9056819-B2 Isocyanate production process using composition containing carbamic acid ester and aromatic hydroxy compound, and composition for transfer and storage of carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-06-16 US disclosed
US-20100113823-A1 ISOCYANATE PRODUCTION PROCESS USING COMPOSITION CONTAINING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSFER AND STORAGE OF CARBAMIC ACID ESTER ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-05-06 US disclosed
US-20100029981-A1 PROCESS FOR PRODUCING ISOCYANATES ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-02-04 US disclosed
EP-2147909-A1 METHOD FOR PRODUCTION OF ISOCYANATE USING COMPOSITION COMPRISING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSPORT OR STORAGE OF CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2010-01-27 EP disclosed
EP-2088137-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2009-08-12 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 (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-20100113823-A1 ISOCYANATE PRODUCTION PROCESS USING COMPOSITION CONTAINING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSFER AND STORAGE OF CARBAMIC ACID ESTER PAH, APEH, CPS1 TSHR 4479/4885PPARA 1229/4885PPARG 1005/4885
US-20100029981-A1 PROCESS FOR PRODUCING ISOCYANATES PAH, ALKBH3, GRHPR TSHR 4077/4885PPARA 2251/4885PPARG 2120/4885
US-20150259279-A1 Isocyanate Production Process Using Composition Containing Carbamic Acid Ester and Aromatic Hydroxy Compound, and Composition for Transfer and Storage of Carbamic Acid Ester PAH, APEH, CPS1 TSHR 4479/4885PPARA 1229/4885PPARG 1005/4885

“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.