SCHEMBL139976

SCHEMBL139976

NCCCCn1ccnc1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.75
HMOX1 P09601 1/20 0.50
PRKCI P41743 1/20 0.50

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
SCHEMBL2369806 0.98 TBXAS1 (0.79) TBXAS1
SCHEMBL2369290 0.98 TBXAS1 (0.79) TBXAS1
Hydrochloric Acid SCHEMBL7276913 0.98 TBXAS1 (0.72) TBXAS1
SCHEMBL3173441 0.98 TBXAS1 (0.79) TBXAS1
Bromide SCHEMBL18941395 0.98 TBXAS1 (0.72) TBXAS1HMOX1PRKCI
SCHEMBL7276173 0.98 TBXAS1 (0.79) TBXAS1
SCHEMBL5988937 0.98 TBXAS1 (0.79) TBXAS1
SCHEMBL3172850 0.98 TBXAS1 (0.79) TBXAS1
Hydrochloric Acid SCHEMBL3530240 0.96 TBXAS1 (0.76) TBXAS1
SCHEMBL78110 0.93

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119912674-A Cationic polyether macromonomer, preparation method thereof and concrete superplasticizer using cationic polyether macromonomer 博特建材(天津)有限公司 2025-05-02 CN claimed
EP-4457258-A1 POLYOL CATALYST FOR A TWO-COMPONENT POLYURETHANE SYSTEM ARKEMA FRANCE (FR) 2024-11-06 EP claimed
US-11897995-B2 Allophanate based dispersing agent BASF SE (DE) 2024-02-13 US claimed
WO-2023126199-A1 POLYOL CATALYST FOR A TWO-COMPONENT POLYURETHANE SYSTEM ARKEMA FRANCE (FR) 2023-07-06 WO claimed
US-20220275146-A1 ALLOPHANATE BASED DISPERSING AGENT BASF SE (DE) 2022-09-01 US claimed
EP-3999570-A1 ALLOPHANATE BASED DISPERSING AGENT BASF SE (DE) 2022-05-25 EP claimed
CN-114127150-A Allophanate-based dispersants 巴斯夫欧洲公司 2022-03-01 CN claimed
CN-110105332-A A kind of preparation method for the adjustable compound ion liquid that shines 山东大学 2019-08-09 CN claimed
EP-3141552-B1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM IND CO LTD (KR) 2019-04-17 EP claimed
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2018-10-30 US claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases FINK CYNTHIA A 2007-03-15 US claimed
CN-1886378-A 1,4-disubstituted isoquinilone derivatives as RAF-kinase inhibitors useful for the treatment of proliferative diseases NOVARTIS AG (CH) 2006-12-27 CN claimed
EP-1385828-A1 COMPOUNDS OF THE FAMILY OF 3-ALKYL-(4,5 DIPHENY-IMIDAZOL-1-YL) AND THEIR USE AS SOOTHING AGENTS L'OREAL (FR) 2004-02-04 EP claimed
WO-2002085864-A1 COMPOUNDS OF THE FAMILY OF 3-ALKYL-(4,5 DIPHENY-IMIDAZOL-1-YL) AND THEIR USE AS SOOTHING AGENTS L'OREAL (FR) 2002-10-31 WO claimed
EP-0892789-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-01-27 EP claimed
WO-1997038983-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1997-10-23 WO claimed
EP-0596802-B1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1996-03-20 EP claimed
EP-0596802-A1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1994-05-11 EP claimed
EP-0375451-A2 Compounds having a renin-inhibiting activity BEECHAM GROUP PLC (GB) 1990-06-27 EP claimed

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-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase CDK2, SBK3, CDK2AP1 TBXAS1 3167/4885HMOX1 4487/4885PRKCI 153/4885
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases BRAF, RAF1, NRAS TBXAS1 1080/4885HMOX1 1912/4885PRKCI 68/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 TBXAS1 183/4885HMOX1 432/4885PRKCI 458/4885

“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.