SCHEMBL2432852

SCHEMBL2432852

O=c1cc(CCl)occ1OCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
RECQL P46063 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
LDHA P00338 3/20 0.53
DAO P14920 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.44

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
SCHEMBL1584925 0.85 RAB9A (0.56) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL9010390 0.85 DAO (0.68) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL2116138 0.85 KMT2A (0.59) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL11863320 0.85 LOXL2 (0.57) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL2116925 0.85 RAB9A (0.75) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL9778350 0.83 RAB9A (0.57) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL6170692 0.82 RAB9A (0.52) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL9010386 0.81 MEN1 (0.50) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL22442297 0.81 RAB9A (0.55) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL2119743 0.80 NPC1 (0.53) RAB9ANPC1CYP1A2CYP2C19RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8081462-A None JP disclosed
CN-115010826-B Chitosan oligosaccharide-hydroxypyridone conjugate, and preparation method and application thereof 浙江工商大学 2023-07-18 CN disclosed
CN-115010826-A Chitosan oligosaccharide-hydroxypyridone conjugate and preparation method and application thereof 浙江工商大学 2022-09-06 CN disclosed
EP-2542076-B1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME (US) 2021-01-13 EP disclosed
EP-2542076-B1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME (US) 2021-01-13 EP disclosed
US-10889556-B2 Compositions and methods for inhibiting influenza RNA polymerase PA endonuclease THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-01-12 US disclosed
US-10889556-B2 Compositions and methods for inhibiting influenza RNA polymerase PA endonuclease THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-01-12 US disclosed
CN-109608392-B Stilbene similar compound and preparation method and application thereof 浙江工商大学 2020-08-25 CN disclosed
US-20190106398-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLUENZA RNA POLYMERASE PA ENDONUCLEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-04-11 US disclosed
US-20190106398-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLUENZA RNA POLYMERASE PA ENDONUCLEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-04-11 US disclosed
US-9024032-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders MERCK SHARP & DOHME CORP. (US) 2015-05-05 US disclosed
US-9024032-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders MERCK SHARP & DOHME CORP. (US) 2015-05-05 US disclosed
US-20130084346-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME LLC 2013-04-04 US disclosed
US-20130084346-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME LLC 2013-04-04 US disclosed
EP-2542076-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS Merck Sharp & Dohme Corp. (US) 2013-01-09 EP disclosed
WO-2011109254-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2011-09-09 WO disclosed
JP-H0881462-A ASCORBIC ACID-KOJIC ACID CONJUGATE AND PRODUCTION KANTO DENKA KOGYO CO LTD 1996-03-26 JP disclosed
EP-0236624-B1 SUBSTITUTED PHENYL ETHANOL AMINES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1993-08-11 EP disclosed
US-5153210-A Hypoglycemic agent, animal growth regulator; veterinary medicine BEECHAM GROUP P.L.C. (GB) 1992-10-06 US disclosed
EP-0236624-A2 Substituted phenyl ethanol amines, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-09-16 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 (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-20190106398-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLUENZA RNA POLYMERASE PA ENDONUCLEASE POLRMT, RNASE1, POLM RAB9A 3236/4885NPC1 3587/4885CYP1A2 2739/4885
US-20130084346-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS COMT, PNMT, TPMT RAB9A 1972/4885NPC1 2080/4885CYP1A2 130/4885
US-10889556-B2 Compositions and methods for inhibiting influenza RNA polymerase PA endonuclease POLRMT, RNASE1, POLM RAB9A 3236/4885NPC1 3587/4885CYP1A2 2739/4885

“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.