SCHEMBL657234

SCHEMBL657234

O=C(COCc1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.55
KMT2A Q03164 3/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
TSHR P16473 1/20 0.54
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 2/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
CES1 P23141 1/20 0.50
ALDH1A1 P00352 5/20 0.49
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48

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
Chloroform SCHEMBL28141196 0.93 NPC1 (0.49) TDP1KMT2ASLC6A2SLC6A3NPC1
SCHEMBL27622766 0.88 LMNA (0.60) KMT2ANPC1RAB9ATSHRMAPT
SCHEMBL9650496 0.88 MAPT (0.62) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9650487 0.88 L3MBTL1 (0.55) KMT2ANPC1RAB9AMAPTMAPK1
SCHEMBL10901370 0.88 L3MBTL1 (0.59) TDP1KMT2ASLC6A2SLC6A3NPC1
SCHEMBL1630447 0.86 NR4A1 (0.68) SLC6A2SLC6A3NPC1RAB9AMAPT
SCHEMBL864716 0.85 MAPT (0.61) TDP1KMT2ANPC1RAB9ATSHR
SCHEMBL9653413 0.85 NPC1 (0.65) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4689393 0.85 RAB9A (0.56) TDP1KMT2ANPC1RAB9AMAPT
SCHEMBL4888739 0.84 GRM5 (0.54) KMT2ANPC1RAB9AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101663256-A Process for producing optically active cyanohydrin derivative AGENCY SCIENCE TECH & RES 2010-03-03 CN claimed
CN-101248057-A Preparation of (+) -catechin, (-) -epicatechin, (-) -catechin, (+) -epicatechin, and their 5, 7, 3 ', 4' -tetra-O-benzyl analogues MARS INC (US) 2008-08-20 CN claimed
CN-1816328-A Therapeutic agent TAKARA BIO INC (JP) 2006-08-09 CN claimed
JP-62145017-A None JP disclosed
CN-115677667-A Bifunctional chimera heterocyclic compound and application thereof as androgen receptor degrading agent 海创药业股份有限公司 2023-02-03 CN disclosed
US-10934283-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE, INC. (US) 2021-03-02 US disclosed
CN-109232251-A 3, 4-Dihydroxyacetophenone derivative, preparation method, application and pharmaceutical composition 潍坊医学院 2019-01-18 CN disclosed
US-20180305354-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2018-10-25 US disclosed
CN-108503554-A A kind of synthetic method of bricalin 南京倍特医药科技有限公司 2018-09-07 CN disclosed
CN-105801411-A Synthesis method of 2-arylformyl-1-arylethanone derivative 浙江工业大学 2016-07-27 CN disclosed
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
EP-0311385-A2 Optically active hydroxybenzylamine derivative, optically active amine-boron compound containing said derivative, and process for producing optically active compound by using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-04-12 EP disclosed
EP-0292699-A2 Urea based lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1988-11-30 EP disclosed
JP-S62145017-A ANTIBACTERIAL AGENT MITSUBISHI CHEM IND LTD 1987-06-29 JP disclosed
US-4490392-A Benzylalcohol derivative and process for preparing TANABE SEIYAKU CO., LTD. (JP) 1984-12-25 US disclosed
US-4276304-A ANTIDIABETIC, ANTICOAGULANTS TANABE SEIYAKU CO., LTD. (JP) 1981-06-30 US disclosed
US-4218479-A Novel benzylalcohols and pharmaceutical compositions and use thereof TANABE SEIYAKU CO., LTD. (JP) 1980-08-19 US disclosed
US-4072759-A Novel benzylalcohol derivatives as antidiabetics and cardiotonics TANABE SEIYAKU CO., LTD. (JA) 1978-02-07 US disclosed
US-4038412-A ANTI-VIRAL AGENTS RICHARDSON-MERRELL INC. (US) 1977-07-26 US disclosed
US-4032575-A BENZYLALCOHOL AMINE DERIVATIVES TANABE SEIYAKU CO., LTD. (JA) 1977-06-28 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 (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-20180305354-A1 COMT Inhibiting Methods and Compositions COMT, MAOB, MAOA TDP1 439/4885KMT2A 618/4885SLC6A2 23/4885
US-10934283-B2 COMT inhibiting methods and compositions COMT, MAOB, MAOA TDP1 439/4885KMT2A 618/4885SLC6A2 23/4885

“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.