SCHEMBL4598946

SCHEMBL4598946

O=C=NCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.50
CYP2E1 P05181 1/20 0.50
CYP2A6 P11509 1/20 0.50
MIF P14174 1/20 0.50
HIF1A Q16665 1/20 0.50
CYP2A13 Q16696 1/20 0.50
EPAS1 Q99814 1/20 0.50
MMP12 P39900 6/20 0.49
MMP13 P45452 4/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP14 P50281 1/20 0.49
FFAR1 O14842 1/20 0.48
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
ABCC4 O15439 1/20 0.42
LMNA P02545 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
Phenethyl Isocyanate SCHEMBL5918 0.88 MIF (0.63) TRPA1CYP2E1CYP2A6MIFHIF1A
SCHEMBL1580425 0.86 NAAA (0.56) MIFMMP12MMP13MMP2MMP9
SCHEMBL331135 0.85 MIF (0.48) TRPA1CYP2E1CYP2A6MIFHIF1A
SCHEMBL28173860 0.84 MIF (0.46) TRPA1CYP2E1CYP2A6MIFHIF1A
Biphenyl SCHEMBL2448212 0.83 ALDH1A1 (0.45) TRPA1CYP2E1CYP2A6MIFHIF1A
SCHEMBL4600494 0.80 ALDH1A1 (0.47) TRPA1MIFMMP12MMP13MMP2
Phenethyl Isocyanate SCHEMBL5082513 0.79 MIF (0.53) TRPA1CYP2E1CYP2A6MIFHIF1A
Water SCHEMBL27998963 0.78 ALDH1A1 (0.45) TRPA1MIFMMP12MMP13MMP2
SCHEMBL18567327 0.78 MIF (0.42) TRPA1CYP2E1CYP2A6MIFHIF1A
Biphenyl SCHEMBL2353895 0.78 NAAA (0.44) MIFMMP12MMP13MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113354778-B Solid polycarboxylate superplasticizer and preparation method thereof 中建西部建设建材科学研究院有限公司 2023-10-03 CN claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 EP disclosed
US-20240150515-A1 Low Viscosity Catalyst Compositions for Producing Isocyanurate Polymers COVESTRO DEUTSCHLAND AG (DE) 2024-05-09 US disclosed
EP-4298140-A1 LOW VISCOSITY CATALYST COMPOSITIONS FOR PRODUCING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-01-03 EP disclosed
CN-116917364-A Low viscosity catalyst composition for producing isocyanurate polymers 科思创德国股份有限公司 2023-10-20 CN disclosed
CN-113354778-B Solid polycarboxylate superplasticizer and preparation method thereof 中建西部建设建材科学研究院有限公司 2023-10-03 CN disclosed
US-20220363809-A1 POLYMERIZABLE COMPOSITIONS FOR PREPARING POLYISOCYANURATE-BASED PLASTICS HAVING EXTENDED WORKLIFE COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2022-11-17 US disclosed
US-20170058075-A1 POLYISO-UREA BASF SE (DE) 2017-03-02 US disclosed
EP-3107946-A1 A POLYISO-UREA BASF SE (DE) 2016-12-28 EP disclosed
EP-3107945-A1 POST-MODIFIED POLYCARBODIIMIDES BASF SE (DE) 2016-12-28 EP disclosed
WO-2015127041-A1 A POLYISO-UREA BASF SE (DE) 2015-08-27 WO disclosed
WO-2015127038-A1 POST-MODIFIED POLYCARBODIIMIDES BASF SE (DE) 2015-08-27 WO disclosed
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 WO 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 (2 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 TRPA1 4259/4885CYP2E1 2602/4885CYP2A6 1948/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH TRPA1 4885/4885CYP2E1 4465/4885CYP2A6 4219/4885

“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.