SCHEMBL5249462

SCHEMBL5249462

ClC(Cl)(Cl)CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TAAR1 Q96RJ0 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2A6 P11509 1/20 0.46
HTR2A P28223 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
MAOA P21397 4/20 0.42
MAOB P27338 3/20 0.42
CALM1 P0DP23 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ATM Q13315 1/20 0.41
KEAP1 Q14145 1/20 0.41

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
Methylsulfanylmethane SCHEMBL28890671 0.91 ALDH1A1 (0.41) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL8082951 0.85 SIGMAR1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL5529055 0.84 ALDH1A1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL5529047 0.84 ALDH1A1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL8559690 0.81 SIGMAR1 (0.52) MAOAMAOBSIGMAR1
SCHEMBL6602991 0.80 ALDH1A1 (0.44) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL28408596 0.80 ALDH1A1 (0.44) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL5003745 0.80 TAAR1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL8375764 0.80 MAOB (0.44) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL11243960 0.80 ALDH1A1 (0.44) ALDH1A1HPGDALOX15ALOX12CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115354350-A Method for electrocatalytic in-situ nitration of halogenated aromatic hydrocarbon 平顶山学院 2022-11-18 CN disclosed
CN-112094262-A Compounds as fungicides 阿达玛马克西姆股份有限公司 2020-12-18 CN disclosed
EP-1361225-B1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS SANKYO CO (JP) 2007-11-07 EP disclosed
US-20070015892-A1 Method for producing polymer, polymer, composition for forming insulating film, method for producing insulating film, and insulating film JSR CORPORATION (JP) 2007-01-18 US disclosed
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
EP-1705206-A1 METHOD FOR PRODUCING POLYMER, POLYMER, COMPOSITION FOR FORMING INSULATING FILM, METHOD FOR PRODUCING INSULATING FILM, AND INSULATING FILM JSR Corporation (JP) 2006-09-27 EP disclosed
US-7091352-B2 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP disclosed
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 US disclosed
EP-1053990-A2 A method of producing an aromatic ketone and an aromatic ketone composition containing it TORAY INDUSTRIES, INC. (JP) 2000-11-22 EP disclosed
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
US-5760084-A TREATING DERMATOLOGICAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-02 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
EP-0353030-B1 Photopolymerization initiator and photosensitive composition employing the same CANON KK (JP) 1995-03-15 EP disclosed
US-5124235-A Photopolymerization initiator and photosensitive composition employing the same CANON KABUSHIKI KAISHA (JP) 1992-06-23 US disclosed
EP-0453317-A2 Image forming medium CANON KABUSHIKI KAISHA (JP) 1991-10-23 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
EP-0353030-A2 Photopolymerization initiator and photosensitive composition employing the same CANON KABUSHIKI KAISHA (JP) 1990-01-31 EP disclosed
US-4324929-A CATALYTIC FLUOROALKYLATION OF BENZENE WITH 3,3,3-TRIFLUOROPROPYLENE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1982-04-13 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-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B ALDH1A1 871/4885HPGD 700/4885ALOX15 923/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A ALDH1A1 928/4885HPGD 985/4885ALOX15 1380/4885

“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.