SCHEMBL403103

SCHEMBL403103

CC(=O)c1ccc(Cl)c(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
NOTUM Q6P988 3/20 0.40
TSHR P16473 2/20 0.40
GPR27 Q9NS67 1/20 0.40
ALDH1A1 P00352 3/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.36
ALPL P05186 1/20 0.36
TP53 P04637 1/20 0.35
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL30610932 1.00 CYP3A4 (0.42) CYP3A4MAPK1NOTUMTSHRGPR27
SCHEMBL4509639 0.82 DPP4 (0.43) CYP3A4MAPK1NOTUMTSHRALDH1A1
SCHEMBL9501959 0.82 MAPK1 (0.39) CYP3A4MAPK1NOTUMTSHRALDH1A1
SCHEMBL6585808 0.82 MAPT (0.39) CYP3A4MAPK1NOTUMTSHRALDH1A1
SCHEMBL11658669 0.80 ALDH1A1 (0.38) CYP3A4MAPK1NOTUMTSHRALDH1A1
SCHEMBL750562 0.80 ALDH1A1 (0.38) CYP3A4MAPK1NOTUMTSHRALDH1A1
SCHEMBL10964869 0.80 KMT2A (0.37) CYP3A4MAPK1NOTUMTSHRKMT2A
SCHEMBL16958284 0.80 CYP3A4 (0.46) CYP3A4MAPK1NOTUMTSHRGPR27
SCHEMBL699212 0.79 TSHR (0.65) CYP3A4TSHRALDH1A1TAS1R3TAS1R1
SCHEMBL6247069 0.79 MAPK1 (0.46) CYP3A4MAPK1ALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674233-B1 Recording sheets XEROX CORP (US) 2000-05-24 EP claimed
US-6013839-A REACTING A 2,4-DIHALOACETOPHENONE WITH A THIOLATING AGENT UNDER ANHYDROUS CONDITIONS; EFFICIENCY; INTERMEDIATES OF HERBICIDES E.G., BENZAMIDE DERIVATIVES RHONE-POULENC AGRICULTURE LIMITED (GB) 2000-01-11 US claimed
US-5928765-A Recording sheets XEROX CORPORATION (US) 1999-07-27 US claimed
EP-0674233-A2 Recording sheets XEROX CORPORATION (US) 1995-09-27 EP claimed
US-4417957-A CHLORINATED ACETOPHENONES; ACRYLIC ACID AND/OR METHACRYLIC ACID COLUMBIA CHEMICAL CORPORATION (US) 1983-11-29 US claimed
CN-116970580-A Short-chain dehydrogenase mutant derived from Raffina and application of short-chain dehydrogenase mutant in catalyzing aryl ketone to prepare chiral alcohol 浙江工业大学 2023-10-31 CN disclosed
WO-2022104049-A1 SYNTHESIS OF ARYL 1-(METHOXYMETHYL) VINYL KETONES AND THEIR USE AS INHIBITORS OF MILD STEEL CORROSION SAUDI ARABIAN OIL COMPANY (SA) 2022-05-19 WO disclosed
US-20220145179-A1 SYNTHESIS OF ARYL 1-(METHOXYMETHYL) VINYL KETONES AND THEIR USE AS INHIBITORS OF MILD STEEL CORROSION SAUDI ARABIAN OIL COMPANY (SA) 2022-05-12 US disclosed
WO-2019056247-A1 TRIAZINONE DERIVATIVE CONTAINING ACYLHYDRAZONE STRUCTURE AND PREPARATION METHOD THEREFOR, AND INSECTICIDAL AND BACTERICIDAL USES THEREOF 南开大学 2019-03-28 WO disclosed
EP-2285787-B1 3-SUBSTITUTED PROPANAMINE COMPOUNDS SK BIOPHARMACEUTICALS CO LTD (KR) 2015-08-26 EP disclosed
US-8404730-B2 3-substituted propanamine compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-03-26 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed
US-5075488-A Fungicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-12-24 US disclosed
EP-0128006-B1 A SOIL-DISEASE-CONTROLLING AGENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-18 EP disclosed
US-4709052-A FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-11-24 US disclosed
US-4515793-A PARASITICIDES EDNA MCCONNELL CLARK FOUNDATION (US) 1985-05-07 US disclosed
EP-0128006-A2 A soil-disease-controlling agent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-12-12 EP disclosed
US-4297435-A CONSISTING OF A TRIARYLMETHANE LEUCO DYE AND A BROMO-SUBSTITUTED CYCLOHEXANE HERCULES INCORPORATED (US) 1981-10-27 US disclosed
US-4283334-A DIURETICS AMERICAN CYANAMID COMPANY (US) 1981-08-11 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 (1 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-20220145179-A1 SYNTHESIS OF ARYL 1-(METHOXYMETHYL) VINYL KETONES AND THEIR USE AS INHIBITORS OF MILD STEEL CORROSION PAH, CYP2F1, ADH1C CYP3A4 100/4885MAPK1 569/4885NOTUM 459/4885

“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.