SCHEMBL1133046

SCHEMBL1133046

Cc1cc(C)c(-c2cccc(F)c2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
RAPGEF4 Q8WZA2 1/20 0.50
TAAR1 Q96RJ0 2/20 0.44
ESR2 Q92731 1/20 0.44
TNKS2 Q9H2K2 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
DHODH Q02127 1/20 0.40
NFE2L2 Q16236 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL19170354 0.87 TAAR1 (0.52) ACHETAAR1ESR2TNKS2MGAM
SCHEMBL16219594 0.84 HTR7 (0.41) ACHERAPGEF4CYP1A2
SCHEMBL6382163 0.82 HTR7 (0.40) ACHERAPGEF4ESR2MAPTCYP1A2
SCHEMBL26032118 0.80 ACHE (0.50) ACHEALDH1A1MAPTHPGD
SCHEMBL13652297 0.80 TNKS2 (0.44) ACHETAAR1ESR2TNKS2MGAM
SCHEMBL18970453 0.79 ACHE (0.47) ACHERAPGEF4TAAR1ESR2TNKS2
SCHEMBL19301039 0.78 ACHE (0.56) ACHERAPGEF4TAAR1ESR2TNKS2
SCHEMBL27883848 0.78 TAAR1 (0.57) ACHERAPGEF4TAAR1ESR2TNKS2
SCHEMBL13601641 0.78 TTR (0.46) DHODH
SCHEMBL13087002 0.77 NISCH (0.43) ACHERAPGEF4PTGS2

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 4 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
US-8237002-B2 Method for producing unsaturated organic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US 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 ACHE 3440/4885RAPGEF4 4595/4885TAAR1 46/4885

“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.