SCHEMBL6364872

SCHEMBL6364872

O=C(CNC1CCCCC1)Nc1ccc(Cl)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.63
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
NPC1 O15118 3/20 0.58
MAPK1 P28482 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
MAPT P10636 1/20 0.58
ATM Q13315 1/20 0.56
TDP1 Q9NUW8 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
XBP1 P17861 1/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 1/20 0.48
AKR1B1 P15121 1/20 0.47

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
SCHEMBL11048519 0.82 GABRP (0.63) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL2751089 0.77 RAB9A (1.00) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL497131 0.76 POLB (0.72) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL17662312 0.75 KDM4E (0.51) RAB9AKDM4EALDH1A1MEN1KMT2A
SCHEMBL17653628 0.74 KDM4E (0.50) RAB9AKDM4EALDH1A1MEN1KMT2A
SCHEMBL17099812 0.74 RAB9A (0.50) RAB9AKDM4EALDH1A1MEN1KMT2A
SCHEMBL6480555 0.73 GSK3B (0.61) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL5858216 0.73 HPGD (0.62) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL29678338 0.73 HPGD (0.62) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL2092509 0.73 HPGD (0.62) RAB9AKDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154061-A1 peroxisome-proliferator-activated receptor (PPAR)-delta agonist; 2-[4-[[[2-[(2,4-Dichlorophenyl)amino]-2-oxoethyl]cyclohexylamino]methyl]-2-methylphenoxy]-2-methylpropanoic acid; cardiovascular disorders, dyslipidaemias or restenosis; improves HDL/LDL cholesterol ratio; side effect reduction BAYER AKTIENGESELLSCHAFT (DE) 2005-07-14 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-20050154061-A1 peroxisome-proliferator-activated receptor (PPAR)-delta agonist; 2-[4-[[[2-[(2,4-Dichlorophenyl)amino]-2-oxoethyl]cyclohexylamino]methyl]-2-methylphenoxy]-2-methylpropanoic acid; cardiovascular disorders, dyslipidaemias or restenosis; improves HDL/LDL cholesterol ratio; side effect reduction PPARA, PPARD, PPARG RAB9A 2886/4885KDM4E 3007/4885ALDH1A1 639/4885

“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.