SCHEMBL1133124

SCHEMBL1133124

CCc1cc(F)c(-c2cncn2-c2ccccc2)c(CC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.41
HSP90AB1 P08238 7/20 0.41
IDO1 P14902 2/20 0.34
TDO2 P48775 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CARM1 Q86X55 1/20 0.34
CYP2C9 P11712 2/20 0.33
PTGER1 P34995 1/20 0.33
MAPK14 Q16539 1/20 0.33
CRBN Q96SW2 1/20 0.32
NOS1 P29475 2/20 0.32
ALOX15B O15296 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL19953065 0.73 TDO2 (0.46) HSP90AA1HSP90AB1IDO1TDO2CYP11B1
SCHEMBL28531423 0.73 HSP90AA1 (0.50) HSP90AA1HSP90AB1IDO1CYP2C9PTGER1
SCHEMBL10235433 0.65 NOS1 (0.49) HSP90AA1HSP90AB1IDO1TDO2CYP11B1
SCHEMBL12653304 0.65 TP53 (0.46) IDO1CYP1A2L3MBTL1LMNATP53
SCHEMBL12676747 0.65 CYP11B1 (0.50) HSP90AA1HSP90AB1IDO1CYP11B1CYP11B2
SCHEMBL19953079 0.64 HSP90AA1 (0.48) HSP90AA1HSP90AB1IDO1MAPT
SCHEMBL1075925 0.63 HSP90AA1 (0.47) HSP90AA1HSP90AB1CYP11B1CYP11B2
SCHEMBL19953061 0.63 HSP90AA1 (0.51) HSP90AA1HSP90AB1IDO1CYP11B1CYP11B2
SCHEMBL27831303 0.62 CYP11B1 (0.45) HSP90AA1HSP90AB1IDO1CYP11B1CYP11B2
SCHEMBL28534427 0.62 MAPT (0.50) HSP90AA1HSP90AB1CYP2C9MAPK14CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2287141-B1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-10-21 EP disclosed
CN-102015585-B Method for producing unsaturated organic compound SUMITOMO CHEMICAL CO 2013-06-19 CN disclosed
US-8237002-B2 Method for producing unsaturated organic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US disclosed
CN-102015585-A Method for producing unsaturated organic compound SUMITOMO CHEMICAL CO 2011-04-13 CN disclosed
US-20110046380-A1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-24 US disclosed
EP-2287141-A1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-02-23 EP 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-20110046380-A1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND NIT2, NOS1, CHRM1 HSP90AA1 3732/4885HSP90AB1 3711/4885IDO1 253/4885

“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.