SCHEMBL456713

SCHEMBL456713

CCCc1ccc(-c2ccccc2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.50
CYP1A2 P05177 1/20 0.41
MME P08473 4/20 0.41
ACE P12821 3/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
AHR P35869 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP19A1 P11511 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
SCHEMBL458111 0.86 ESR2 (0.52) ESR2CYP1A2MMEACEHPGD
SCHEMBL21448651 0.85 AKR1C2 (0.40) HPGDSMN1; SMN2ALDH1A1MAPTHSD17B10
SCHEMBL29068251 0.84 SMN1; SMN2 (0.42) CYP1A2HPGDSMN1; SMN2KDM4ENPC1
SCHEMBL7698653 0.81 ESR2 (0.50) ESR2CYP1A2MMEACEALDH1A1
SCHEMBL455471 0.81 MAPT (0.40) HPGDSMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL455218 0.81 DCLRE1A (0.42) CYP1A2HPGDSMN1; SMN2KDM4ENPC1
SCHEMBL5595171 0.81 SMN1; SMN2 (0.40) CYP1A2HPGDSMN1; SMN2KDM4ENPC1
SCHEMBL28940878 0.80 ESR2 (0.46) ESR2CYP1A2MMEACEHPGD
SCHEMBL6308178 0.80 ESR2 (0.53) ESR2CYP1A2MMEACESMN1; SMN2
SCHEMBL458899 0.79 RARB (0.41) CYP1A2HPGDSMN1; SMN2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 ESR2 442/4885CYP1A2 496/4885MME 209/4885

“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.