SCHEMBL714182

SCHEMBL714182

COc1cccc(OC)c1[O]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.58
CA2 P00918 4/20 0.58
CA7 P43166 3/20 0.58
CA9 Q16790 3/20 0.58
CA12 O43570 2/20 0.58
CA14 Q9ULX7 2/20 0.58
CA4 P22748 1/20 0.58
ALDH1A1 P00352 4/20 0.50
TP53 P04637 2/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL714204 0.87 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL5394326 0.83 CA12 (0.46) CA1CA2CA7CA9CA12
SCHEMBL4401750 0.83 NFE2L2 (0.47) CA1CA2CA7CA9CA12
SCHEMBL23521027 0.79 IDO1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL8577809 0.79 LPAR1 (0.47) CA1CA2CA7CA9CA12
SCHEMBL2292046 0.78 L3MBTL1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL21830399 0.78 CYP2A6 (0.44) CA1CA2CA7CA9CA12
SCHEMBL16599722 0.78 POLB (0.49) CA1CA2CA7CA9CA12
SCHEMBL28148154 0.75 CA1 (0.65) CA1CA2CA7CA9CA12
SCHEMBL54887 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114106044-B Binuclear pyridine phosphine base, full-acrylate thermoplastic elastomer and preparation method thereof 吉林大学 2023-04-25 CN claimed
CN-114106044-A Binuclear pyridine phosphine base, full-acrylate thermoplastic elastomer and preparation method thereof 吉林大学 2022-03-01 CN claimed
CN-101130579-B Domino catalytic system for producing branching polythene and use method of the same UNIV HEBEI TECHNOLOGY 2010-06-23 CN claimed
EP-1651958-B1 NOVEL CHEMILUMINESCENT COMPOUNDS AND THEIR USE ROCHE DIAGNOSTICS GMBH (DE) 2010-06-16 EP claimed
CN-101130579-A Domino catalytic system producing branching polythene and use method of the same UNIV HEBEI TECHNOLOGY (CN) 2008-02-27 CN claimed
EP-1383750-B1 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-26 EP claimed
EP-1664042-A1 IMIDAZO 1,5-a PYRIDINE OR IMIDAZO 1,5-a PIPERIDINE DERIVATIVES AND THEIR USE FOR THE PREPARATION OF MEDICAMENT AGAINST 5-HT2A RECEPTOR-RELATED DISORDERS Galapagos N.V. (BE) 2006-06-07 EP claimed
EP-1663972-A1 THE CLAIMED INVENTION RELATES TO NOVEL 4-PIPERIDINECARBOXAMIDE AND THE USE THEREOF FOR THE PREPARATION OF MEDICAMENTS AGAINST 5-HT2A RECEPTOR-RELATED DISORDERS Galapagos N.V. (BE) 2006-06-07 EP claimed
US-20050215555-A1 Imidazo[1,5-a]pyridine serotonin (5-HT) 5-HT2A receptor antagonists such as 1-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]imidazo[1,5-a]pyridine; psychological disorders, sleep disorders, addiction, cardiovascular disorders, epilepsy, glaucoma BLOVITRUM AB (SE) 2005-09-29 US claimed
US-20050215589-A1 Inhibitors of 5-HT2A receptor BIOVITRUM AB (SE) 2005-09-29 US claimed
CN-1157386-C Trisubstituted 1,3,5-triazine derivatives for treatment by HIV infections ղɭҩҵ���޹�˾ 2004-07-14 CN claimed
US-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives DAEYAERT FREDERIK FRANS DESIRE (BE) 2002-08-22 US claimed
CN-1067690-C Catalyst system for syndiotactic polymerization, its preparing method and use thereof CHINESE ACAD INST CHEMISTRY (CN) 2001-06-27 CN claimed
CN-1295566-A Trisubstituted 1,3,5-triazine derivatives for treatment by HIV infections JANSSEN PHARMACEUTICA NV (BE) 2001-05-16 CN claimed
EP-1066269-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-10 EP claimed
US-6150360-A ADMINISTERING TO A PATIENT SUFFERING FROM HUMAN IMMUNODEFICIENCY VIRUS INFECTION A TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVE JANSSEN PHARMACEUTICA N.V. (BE) 2000-11-21 US claimed
WO-1999050256-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-07 WO claimed
CN-1215735-A Catalyst system for synthesis of syndiotactic polystyrene CHINESE ACAD INST CHEMISTRY (CN) 1999-05-05 CN claimed
CN-1191223-A Catalyst system for syndiotactic polymerization, its preparing method and use thereof CHINESE ACAD INST CHEMISTRY (CN) 1998-08-26 CN claimed
US-5798362-A USEFUL AS ALPHA-ADRENORECEPTOR BLOCKERS; CONDENSATION RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1998-08-25 US 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-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives XDH, CCR5, CXCR1 CA1 4799/4885CA2 4527/4885CA7 4366/4885
US-20050215589-A1 Inhibitors of 5-HT2A receptor HTR2A, HTR1A, HTR2C CA1 3101/4885CA2 3899/4885CA7 4736/4885
US-20050215555-A1 Imidazo[1,5-a]pyridine serotonin (5-HT) 5-HT2A receptor antagonists such as 1-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]imidazo[1,5-a]pyridine; psychological disorders, sleep disorders, addiction, cardiovascular disorders, epilepsy, glaucoma HTR1A, HTR2A, HTR5A CA1 4741/4885CA2 2156/4885CA7 4718/4885

“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.