SCHEMBL982585

SCHEMBL982585

CCCCC(CC)COC(=O)NCCCCCCNC(=O)OCC(CC)CCCC

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.57
TSHR P16473 2/20 0.57
ATM Q13315 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ACHE P22303 8/20 0.53
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP14 P50281 1/20 0.52
EPHX1 P07099 1/20 0.51
RECQL P46063 1/20 0.51
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50
CA2 P00918 1/20 0.50
LMNA P02545 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48

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
SCHEMBL9702525 0.95 CYP3A4 (0.58) CYP3A4TSHRATMTDP1ACHE
SCHEMBL10724285 0.92 ACHE (0.55) CYP3A4TSHRATMTDP1ACHE
SCHEMBL8531563 0.89 CYP3A4 (0.55) CYP3A4TSHRATMTDP1ACHE
SCHEMBL12593617 0.89 ACHE (0.58) CYP3A4TSHRATMTDP1ACHE
SCHEMBL983101 0.88 ACHE (0.52) ACHEEPHX1ALOX15
SCHEMBL10456407 0.87 CYP3A4 (0.45) CYP3A4TSHRATMTDP1ACHE
SCHEMBL28062999 0.87 CYP3A4 (0.60) CYP3A4TSHRATMTDP1MMP9
SCHEMBL7805597 0.86 DPP7 (0.48) CYP3A4TSHRATMTDP1ACHE
SCHEMBL9402571 0.86 CYP3A4 (0.53) CYP3A4TSHRATMTDP1ACHE
Ammonia Solution, Strong SCHEMBL27745825 0.85 CYP3A4 (0.58) CYP3A4TSHRATMTDP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
US-9145358-B2 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) 2015-09-29 US disclosed
US-20140194644-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) 2014-07-10 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
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-04-21 US disclosed
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed
US-4713476-A REACTING DI- OR POLYAMINE, UREA AND ALCOHOL BASF AKTIENGESELLSCHAFT (DE) 1987-12-15 US disclosed
US-4388238-A FROM PRIMARY AMINES, ALCOHOLS, AND CARBONYL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1983-06-14 US disclosed
EP-0027952-A1 Process for preparing N,O-disubstituted urethanes BAYER AG (DE) 1981-05-06 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-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 CYP3A4 369/4885TSHR 4686/4885ATM 2136/4885
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH CYP3A4 431/4885TSHR 4853/4885ATM 2082/4885
US-20140194644-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 CYP3A4 369/4885TSHR 4686/4885ATM 2136/4885

“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.