SCHEMBL1833341

SCHEMBL1833341

CCC(C)(C)c1ccc(OC(N)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MAPT P10636 1/20 0.54
KIF11 P52732 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
POLB P06746 1/20 0.49
CYP2C9 P11712 1/20 0.49
HRH3 Q9Y5N1 12/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL1952350 0.85 TDP1 (0.54) NPC1RAB9AMAPTTDP1POLB
SCHEMBL1836425 0.84 CYP3A4 (0.54) KIF11MEN1KMT2A
SCHEMBL1787793 0.84 TDP1 (0.52) NPC1RAB9AMAPTTDP1POLB
SCHEMBL11478367 0.82 MAPT (0.49) NPC1RAB9AMAPTTDP1POLB
SCHEMBL1790593 0.82 KMT2A (0.56) NPC1RAB9AMAPTTDP1POLB
SCHEMBL26085048 0.82 ELANE (0.61) NPC1RAB9AMAPTTDP1POLB
SCHEMBL1450824 0.81 KIF11 (0.57) NPC1RAB9AMAPTKIF11TDP1
SCHEMBL27468878 0.81 KIF11 (0.59) NPC1RAB9AMAPTKIF11TDP1
SCHEMBL14949027 0.81 KIF11 (0.59) NPC1RAB9AMAPTKIF11TDP1
SCHEMBL29177191 0.79 KIF11 (0.58) NPC1RAB9AMAPTKIF11TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3153499-B1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2018-09-19 EP disclosed
US-20170298169-A1 Polyisocyanate Composition and Isocyanate Polymer Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-10-19 US disclosed
EP-3153499-A1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-04-12 EP disclosed
EP-3153500-A1 METHOD FOR PRODUCING ISOCYANATE USING N-SUBSTITUTED CARBAMIC ACID ESTER, AND COMPOSITION FOR TRANSFERRING AND STORING N-SUBSTITUTED CARBAMIC ACID ESTER CONTAINING N-SUBSTITUTED CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-04-12 EP disclosed
EP-2439191-B1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER, METHOD FOR PRODUCING ISOCYANATE USING N-SUBSTITUTED CARBAMIC ACID ESTER, AND COMPOSITION FOR TRANSFERRING AND STORING N-SUBSTITUTED CARBAMIC ACID ESTER CONTAINING N-SUBSTITUTED CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND ASAHI CHEMICAL IND (JP) 2017-01-25 EP disclosed
US-9145357-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-20150210631-A1 Polyisocyanate Composition and Isocyanate Polymer Composition ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-07-30 US disclosed
US-20140194650-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-8658819-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) 2014-02-25 US disclosed
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
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
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 (5 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 NPC1 477/4885RAB9A 4462/4885MAPT 1095/4885
US-20140194650-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 NPC1 477/4885RAB9A 4462/4885MAPT 1095/4885
US-20170298169-A1 Polyisocyanate Composition and Isocyanate Polymer Composition TST, SUDS3, SCLY NPC1 2034/4885RAB9A 4633/4885MAPT 2554/4885
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH NPC1 895/4885RAB9A 2751/4885MAPT 2458/4885
US-20150210631-A1 Polyisocyanate Composition and Isocyanate Polymer Composition TST, SUDS3, SCLY NPC1 2034/4885RAB9A 4633/4885MAPT 2554/4885

“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.