SCHEMBL633349

SCHEMBL633349

CCCC(=O)c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.55
FEN1 P39748 1/20 0.55
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 4/20 0.52
F2R P25116 1/20 0.51
LMNA P02545 4/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.48
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 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
SCHEMBL6680586 0.89 HPGD (0.58) ERCC5FEN1CES2CES1HPGD
SCHEMBL15979733 0.87 CES2 (0.62) ERCC5FEN1CES2CES1HPGD
SCHEMBL5952777 0.87 HPGD (0.57) ERCC5FEN1CES2CES1HPGD
SCHEMBL29219464 0.85 HPGD (0.55) ERCC5FEN1CES2CES1HPGD
SCHEMBL8166175 0.85 ERCC5 (0.57) ERCC5FEN1CES2CES1HPGD
SCHEMBL2837238 0.83 ERCC5 (0.58) ERCC5FEN1CES2CES1HPGD
SCHEMBL9858659 0.83 F2R (0.44) HPGDSMN1; SMN2ALDH1A1F2RLMNA
SCHEMBL4104928 0.83 CYP1A2 (0.46) ERCC5FEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL4024952 0.82 ERCC5 (0.53) ERCC5FEN1CES2CES1HPGD
SCHEMBL13264165 0.82 F2R (0.47) ERCC5FEN1CES2CES1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010121022-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2010-10-21 WO claimed
JP-11001455-A None JP disclosed
US-20230117570-A1 DIOXOLANE ANALOGUES OF URIDINE FOR THE TREATMENT OF CANCER MEDIVIR AB (SE) 2023-04-20 US disclosed
CN-113924108-B Topical skin care compositions comprising centella asiatica 宝洁公司 2023-01-17 CN disclosed
CN-114585610-A 2, 6-dioxo-3, 6-dihydropyrimidine compound, and agricultural and horticultural bactericide, nematicide, and medical and animal antifungal agent 日本曹达株式会社 2022-06-03 CN disclosed
CN-114401633-A Pest control method, pest control agent composition, and pest control agent set 日本曹达株式会社 2022-04-26 CN disclosed
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
US-8524726-B2 Amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-09-03 US disclosed
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma, SA (CH) 2013-05-23 US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 US disclosed
EP-0735018-A1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed
CN-1131146-A Process for producing N- [1- (2, 4-dichlorophenyl) ethyl ] -2-cyano-3, 3-dimethylbutanamide SUMITOMO CHEMICAL CO (JP) 1996-09-18 CN disclosed
WO-1996002250-A1 HALOPERIDOL ANALOGS AND THE USE THEREOF ACEA PHARMACEUTICALS INC. (US) 1996-02-01 WO disclosed
EP-0411631-A1 Anti-psychotic compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1991-02-06 EP disclosed
EP-0069536-B1 PHLOROPHENONE DERIVATIVES, PROCESSES FOR PREPARING SUCH COMPOUNDS, USES AND PHARMACEUTICAL COMPOSITIONS OF PHLOROPHENONE COMPOUNDS NORISTAN LIMITED (ZA) 1986-12-17 EP disclosed
US-4578520-A Phlorophenone derivatives, processes for preparing such compounds, uses and pharmaceutical compositions of phlorophenone compounds NORISTAN LIMITED (ZA) 1986-03-25 US disclosed
EP-0049913-B1 NEW ETHENYLIMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM; INTERMEDIATES, USEFUL IN THEIR PREPARATION AND A PROCESS FOR THE PREPARATION THEREOF GIST-BROCADES N.V. (NL) 1986-03-19 EP disclosed
US-4503256-A BACTERICIDES, FUNGICIDES NORISTAN LIMITED (ZA) 1985-03-05 US disclosed
EP-0069536-A1 Phlorophenone derivatives, processes for preparing such compounds, uses and pharmaceutical compositions of phlorophenone compounds NORISTAN LIMITED (ZA) 1983-01-12 EP disclosed
EP-0049913-A2 New ethenylimidazole derivatives, processes for their preparation and pharmaceutical compositions containing them; intermediates, useful in their preparation and a process for the preparation thereof GIST-BROCADES N.V. (NL) 1982-04-21 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-20230117570-A1 DIOXOLANE ANALOGUES OF URIDINE FOR THE TREATMENT OF CANCER ADORA3, DUT, NT5C ERCC5 524/4885FEN1 2912/4885CES2 2443/4885
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME ARGLU1, F12, CDKL1 ERCC5 1544/4885FEN1 2046/4885CES2 3349/4885
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 ERCC5 4612/4885FEN1 4865/4885CES2 2462/4885

“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.