SCHEMBL231129

SCHEMBL231129

CN(c1ccc(Cl)cc1)c1ccc(C=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.67
CYP2A6 P11509 3/20 0.59
CYP2A13 Q16696 1/20 0.59
ALDH1A1 P00352 8/20 0.50
ALDH3A1 P30838 1/20 0.50
ALDH1A3 P47895 1/20 0.50
TYR P14679 1/20 0.43
CHKA P35790 5/20 0.43
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 1/20 0.41
CES1 P23141 1/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL8189337 0.89 CYP2A6 (0.73) HSD17B10CYP2A6CYP2A13ALDH1A1ALDH3A1
SCHEMBL29429137 0.83 HSD17B10 (0.73) HSD17B10CYP2A6CYP2A13ALDH1A1ALDH3A1
Ethane SCHEMBL2154693 0.82 HSD17B10 (0.89) HSD17B10CYP2A6CYP2A13ALDH1A1ALDH3A1
SCHEMBL5213200 0.82 CHKA (0.55) HSD17B10CYP2A6ALDH1A1CHKAKDM4E
SCHEMBL1919 0.82
SCHEMBL95663 0.81 CYP2A6 (0.61) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL11843859 0.81 CYP2A6 (0.70) HSD17B10CYP2A6CYP2A13ALDH1A1ALDH3A1
SCHEMBL11850274 0.80 HSD17B10 (0.61) HSD17B10CYP2A6CYP2A13ALDH1A1ALDH3A1
Methyl Alcohol SCHEMBL28044962 0.80 HSD17B10 (0.84) HSD17B10CYP2A6CYP2A13ALDH1A1ALDH3A1
Hydrochloric Acid SCHEMBL6414496 0.79 CHKA (0.53) HSD17B10CYP2A6ALDH1A1CHKAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102341371-A As LTC4Bis-aromatic compounds as synthase inhibitors BIOLIPOX AB (SE) 2012-02-01 CN disclosed
EP-2406220-A1 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS Biolipox AB (SE) 2012-01-18 EP disclosed
EP-2406223-A2 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS Biolipox AB (SE) 2012-01-18 EP disclosed
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 US disclosed
US-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2011-12-29 US disclosed
WO-2010103279-A1 BIS AROMATIC COMPOUNDS FOR USE AS LCT4 SYNTHASE INHIBITORS BIOLIPOX AB (SE) 2010-09-16 WO disclosed
WO-2010103297-A2 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS BIOLIPOX AB (SE) 2010-09-16 WO disclosed
US-3975379-A METHINE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-17 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-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R HSD17B10 655/4885CYP2A6 136/4885CYP2A13 75/4885
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R HSD17B10 438/4885CYP2A6 215/4885CYP2A13 113/4885

“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.