SCHEMBL1132837

SCHEMBL1132837

Cc1cccc(C)c1-c1ccc(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.41
▸ PTGS2 P35354 9/20 0.37
▸ PTGS1 P23219 6/20 0.37
▸ MYC P01106 1/20 0.37
▸ CTSL P07711 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ PDK2 Q15119 2/20 0.33
▸ CD44 P16070 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ HTR7 P34969 1/20 0.33

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
SCHEMBL17035493 0.74 ACHE (0.46) ACHEMYCPDK2CD44CA1
SCHEMBL29967714 0.74 CES2 (0.37) PTGS2PTGS1CTSLCTSSCTSK
SCHEMBL1868825 0.74 CES2 (0.37) PTGS2PTGS1CTSLCTSSCTSK
SCHEMBL30213190 0.74 HSD11B1 (0.42) ACHEPTGS2
SCHEMBL1133195 0.73 ACHE (0.56) ACHEMYCPDK2CA1CA2
SCHEMBL5716618 0.72 CTSL (0.44) PTGS2PTGS1CTSLCTSSCTSK
SCHEMBL1133108 0.72 MAPK14 (0.47) ACHEPTGS2
SCHEMBL17858130 0.72 TRPA1 (0.42) ACHEMYCPDK2CA1CA2
SCHEMBL4328219 0.72 CTSL (0.46) CTSLCTSSCTSK
Water SCHEMBL5503134 0.72 CES2 (0.36) PTGS2PTGS1CTSLCTSSCTSK

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 3440/4885PTGS2 352/4885PTGS1 351/4885

“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.

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