SCHEMBL493979

SCHEMBL493979

CCCCCC(C)(O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
LPAR1 Q92633 1/20 0.43
LPAR3 Q9UBY5 1/20 0.43
FDPS P14324 9/20 0.41
GGPS1 O95749 6/20 0.41
CES1 P23141 4/20 0.41

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
SCHEMBL21087422 0.98 CES2 (0.47) CES2LPAR1LPAR3FDPSGGPS1
SCHEMBL13684033 0.98 CES2 (0.47) CES2LPAR1LPAR3FDPSGGPS1
SCHEMBL30156510 0.92 CES1 (0.38) CES2LPAR1LPAR3CES1
SCHEMBL25948178 0.92 CES1 (0.38) CES2LPAR1LPAR3CES1
SCHEMBL9976286 0.92 CES1 (0.38) CES2LPAR1LPAR3CES1
SCHEMBL28586025 0.84 FDPS (0.48) FDPSGGPS1
SCHEMBL11990032 0.81 ALDH1A1 (0.35) FDPSCES1
SCHEMBL28940804 0.81 FDPS (0.50) CES2FDPSGGPS1
SCHEMBL11990036 0.81 ALDH1A1 (0.35) FDPSCES1
SCHEMBL92887 0.81 ALDH1A1 (0.35) FDPSCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8519073-B2 Compound and polymeric compound TOKYO OHKA KOGYO CO., LTD. (JP) 2013-08-27 US disclosed
US-8105747-B2 Positive resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2012-01-31 US disclosed
US-20100075249-A1 POSITIVE RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2010-03-25 US disclosed
US-20100069590-A1 COMPOUND AND POLYMERIC COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2010-03-18 US disclosed
EP-0681713-B1 SULPHONIC ACID ESTERS, RADIATION-SENSITIVE MIXTURES MADE THEREWITH, AND THEIR USE CLARIANT GMBH (DE) 1998-11-18 EP disclosed
US-5716756-A POSITIVE OR NEGATIVE WORKING MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-10 US disclosed
EP-0681713-A1 SULPHONIC ACID ESTERS, RADIATION-SENSITIVE MIXTURES MADE THEREWITH, AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-15 EP disclosed
WO-1994018606-A1 SULPHONIC ACID ESTERS, RADIATION-SENSITIVE MIXTURES MADE THEREWITH, AND THEIR USE HOESCHT AKTIENGESELLSCHAFT (DE) 1994-08-18 WO 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-20100069590-A1 COMPOUND AND POLYMERIC COMPOUND AFF1, F12, AFF4 CES2 476/4885LPAR1 1394/4885LPAR3 1373/4885

“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.