SCHEMBL458111

SCHEMBL458111

CCc1ccc(-c2ccccc2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.52
MME P08473 4/20 0.45
ACE P12821 3/20 0.45
CYP1A2 P05177 1/20 0.43
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
BCL2 P10415 1/20 0.42
PTGS2 P35354 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
NR1H2 P55055 1/20 0.40
DCLRE1A Q6PJP8 1/20 0.40
DCLRE1B Q9H816 1/20 0.40
AHR P35869 1/20 0.39
DHODH Q02127 1/20 0.39
HPGD P15428 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
SCHEMBL456713 0.86 ESR2 (0.50) ESR2MMEACECYP1A2ERCC5
SCHEMBL12603775 0.86 AHR (0.50) CYP1A2ERCC5FEN1AHR
SCHEMBL19323707 0.84 AKR1C2 (0.45) AKR1C2AKR1C1AHRHPGD
SCHEMBL455298 0.84 ESR2 (0.47) ESR2CYP1A2ERCC5FEN1BCL2
SCHEMBL12603776 0.82 SCN9A (0.42) PTGS2SMN1; SMN2NR1H2AHR
SCHEMBL6308178 0.82 ESR2 (0.53) ESR2MMEACECYP1A2ERCC5
SCHEMBL30380433 0.81 DCLRE1A (0.47) CYP1A2BCL2PTGS2SMN1; SMN2L3MBTL1
SCHEMBL28992451 0.81 DCLRE1A (0.47) CYP1A2BCL2PTGS2SMN1; SMN2L3MBTL1
SCHEMBL12653047 0.81 CYP2A6 (0.47) DHODH
SCHEMBL18724270 0.80 SCN9A (0.43) PTGS2MAPTAHRHPGD

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 7 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-20110105463-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2011-05-05 US disclosed
US-4027041-A Ethyl- and vinylbenzenes as antithrombotic agents ELI LILLY AND COMPANY (US) 1977-05-31 US disclosed
US-4024284-A Ethyl- and vinylbenzenes as anti-inflammatory agents ELI LILLY AND COMPANY (US) 1977-05-17 US disclosed
US-3975542-A Ethyl- and vinylbenzenes as antithromobiotic agents ELI LILLY AND COMPANY (US) 1976-08-17 US disclosed
US-3975543-A Ethyl- and vinylbenzenes as anti-inflammatory agents ELI LILLY AND COMPANY (US) 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 (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-20110105463-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES GPR52, CD22, CD4 ESR2 83/4885MME 4193/4885ACE 3524/4885

“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.