SCHEMBL716889

SCHEMBL716889

COC(=O)Nc1cccc(NC(=O)OC)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.62
FAAH O00519 1/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP3A4 P08684 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GPR35 Q9HC97 1/20 0.54
HPGD P15428 2/20 0.53
KCNK9 Q9NPC2 4/20 0.53
KCNK3 O14649 3/20 0.53
ALOX15 P16050 1/20 0.51
NPC1 O15118 1/20 0.50
HTT P42858 1/20 0.50
CYP1A2 P05177 1/20 0.50
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL17518820 0.92 MAPK1 (0.55) MAPK1FAAHALDH1A1CYP3A4SMN1; SMN2
SCHEMBL11283531 0.92 MAPK1 (0.59) MAPK1FAAHALDH1A1CYP3A4SMN1; SMN2
SCHEMBL18814663 0.92 SMN1; SMN2 (0.71) MAPK1FAAHALDH1A1CYP3A4SMN1; SMN2
SCHEMBL11653085 0.90 MGLL (0.58) MAPK1FAAHALDH1A1CYP3A4SMN1; SMN2
SCHEMBL30589563 0.88 ALDH1A1 (0.79) MAPK1FAAHALDH1A1CYP3A4SMN1; SMN2
SCHEMBL8017782 0.88 ALDH1A1 (0.67) MAPK1FAAHALDH1A1CYP3A4SMN1; SMN2
SCHEMBL29355426 0.88 ALDH1A1 (0.67) MAPK1FAAHALDH1A1CYP3A4SMN1; SMN2
SCHEMBL11641473 0.88 MAPK1 (0.55) MAPK1FAAHALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2095614 0.88 ALDH1A1 (0.79) MAPK1FAAHALDH1A1CYP3A4SMN1; SMN2
SCHEMBL9480583 0.87 MAPT (0.69) MAPK1FAAHALDH1A1CYP3A4SMN1; SMN2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023008572-A1 ONIUM SALT, BLOCKING AGENT DISSOCIATION CATALYST FOR BLOCKED ISOCYANATE, BLOCKED ISOCYANTE COMPOSITION INCLUDING BLOCKING AGENT DISSOCIATION CATALYST, THERMOSETTING RESIN COMPOSITION, AND CURED PRODUCT AND MANUFACTURING METHOD THEREFOR 広栄化学株式会社 2023-02-02 WO disclosed
EP-2407449-B1 ONE-POT PRODUCTION OF CARBAMATES USING SOLID CATALYSTS CONSEJO SUPERIOR INVESTIGACION (ES) 2015-01-07 EP disclosed
US-8765993-B2 One-pot production of carbamates using solid catalysts CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2014-07-01 US disclosed
US-8147735-B2 Semipermeable polymers and method for producing same ELTRON RESEARCH & DEVELOPMENT, INC. (US) 2012-04-03 US disclosed
US-20120053359-A1 ONE-POT PRODUCTION OF CARBAMATES USING SOLID CATALYSTS UNIVERSIDAD POLITECNICA DE VALENCIA (ES) 2012-03-01 US disclosed
EP-2407449-A1 ONE-POT PRODUCTION OF CARBAMATES USING SOLID CATALYSTS Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2012-01-18 EP disclosed
US-20100006495-A1 SEMIPERMEABLE POLYMERS AND METHOD FOR PRODUCING SAME ELTRON RESEARCH AND DEVELOPMENT, INC. (US) 2010-01-14 US disclosed
EP-0795543-B1 Use of high boiling solvents or solvent mixtures as heat exchange medium in the thermal decomposition of carbamic esters BAYER AG (DE) 2001-10-31 EP disclosed
EP-0795544-B1 Process for the thermal decomposition of carbamic esters BAYER AG (DE) 2001-10-31 EP disclosed
US-5883291-A Heat exchange media for the thermal cracking of carbamic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1999-03-16 US disclosed
EP-0542106-B1 Process for the preparation of polyisocyanates BAYER AG (DE) 1995-12-27 EP disclosed
EP-0396977-B1 Process for the preparation of polyisocyanates BAYER AG (DE) 1994-06-15 EP disclosed
US-5284969-A Thermal decomposition of the corresponding carbamic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1994-02-08 US disclosed
EP-0542106-A2 Process for the preparation of polyisocyanates BAYER AG (DE) 1993-05-19 EP disclosed
US-5138015-A Reacting dialkyl carbonate with diamine to give urethane, thermally decomposing into diisocyanate, coverting into polyurethane in presence of Lewis acid and/or protonic acid DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-11 US disclosed
EP-0477376-A1 PROCESS FOR PRODUCING POLYURETHANE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-01 EP disclosed
US-5043471-A Process for the preparation of polyisocyanates BAYER AKTIENGESELLSCHAFT (DE) 1991-08-27 US disclosed
EP-0396976-A2 Process for the preparation of polyisocyanates BAYER AG (DE) 1990-11-14 EP disclosed
US-4069240-A GROUP 8 METAL CATALYST UNIROYAL, INC. (US) 1978-01-17 US disclosed
US-3962302-A Production of isocyanates from esters of carbamic acids (urethanes) ATLANTIC RICHFIELD COMPANY (US) 1976-06-08 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 (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-20120053359-A1 ONE-POT PRODUCTION OF CARBAMATES USING SOLID CATALYSTS CA7, CA2, CA4 MAPK1 2842/4885FAAH 2917/4885ALDH1A1 1941/4885

“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.