SCHEMBL7175355

SCHEMBL7175355

Cc1cc(C)c(Cl)c(C(=O)Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.39
CHRM1 P11229 1/20 0.39
ALOX15 P16050 1/20 0.39
MAOA P21397 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.38
GPR35 Q9HC97 1/20 0.37
METAP2 P50579 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL27607757 0.83 KDM4E (0.59) KDM4EL3MBTL1HTTTSHRALDH1A1
SCHEMBL27508874 0.83 CYP3A4 (0.39) KDM4EALDH1A1CYP3A4CHRM1ALOX15
SCHEMBL1311974 0.80 KDM4E (0.45) KDM4EL3MBTL1HTTTSHRALDH1A1
SCHEMBL8747647 0.78 ALDH1A1 (0.45) KDM4EL3MBTL1ALDH1A1MAPTCYP3A4
SCHEMBL28501367 0.78 KDM4E (0.44) KDM4EL3MBTL1ALDH1A1MAPTLMNA
SCHEMBL26120629 0.78 PTGS2 (0.44) L3MBTL1HTTTSHRMAPTPOLB
SCHEMBL34463681 0.77 KDM4E (0.68) KDM4EL3MBTL1HTTTSHRALDH1A1
SCHEMBL26596783 0.77 KDM4E (0.40) KDM4EL3MBTL1ALDH1A1MAPTALOX15
SCHEMBL29031614 0.75 SELL (0.42) KDM4EALDH1A1MAPTALOX15LMNA
SCHEMBL28821783 0.74 ALDH1A1 (0.53) L3MBTL1HTTTSHRALDH1A1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109134241-A The industrial process of 3,5- dimethyl benzoyl chloride 山东凯盛新材料股份有限公司 2019-01-04 CN disclosed
CN-105283439-B The dibenzoylhydrazine of boracic 英特瑞克斯顿股份有限公司 2018-02-02 CN disclosed
EP-1125913-B1 Preparation of 3,5-bis-(trifluormethyl)-benzoylchlorid and novel benzoylhalides: 3,5-bis-(trihalomethyl)- and 3,5-dimethyl- BAYER AG (DE) 2003-04-09 EP disclosed
US-6420601-B2 FREE RADICAL CHLORINATION; FLUORINATION WITH HYDROGEN FLUORIDE AND/OR ANTIMONY PENTAFLUORIDE; CONVERTING THE BENZOYL FLUORIDE TO CHLORIDE BY REACTING WITH SILICON TETRACHLORIDE IN LEWIS ACID; CHEMICAL INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 2002-07-16 US disclosed
EP-1125913-A1 Preparation of 3,5-bis-(trifluormethyl)-benzoylchlorid and novel benzoylhalides: 3,5-bis-(trihalomethyl)- and 3,5-dimethyl- BAYER AG (DE) 2001-08-22 EP disclosed
US-20010014759-A1 Free radical chlorination; fluorination with hydrogen fluoride and/or antimony pentafluoride; converting the benzoyl fluoride to chloride by reacting with silicon tetrachloride in lewis acid; chemical intermediates LANXESS DEUTSCHLAND GMBH (DE) 2001-08-16 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-20010014759-A1 Free radical chlorination; fluorination with hydrogen fluoride and/or antimony pentafluoride; converting the benzoyl fluoride to chloride by reacting with silicon tetrachloride in lewis acid; chemical intermediates SCLY, SSB, CLIC4 KDM4E 2339/4885L3MBTL1 258/4885HTT 1629/4885

“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.