SCHEMBL506079

SCHEMBL506079

CCCCCC[C](CCCC)CCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.55
CES1 P23141 4/20 0.55
TSHR P16473 5/20 0.53
THRB P10828 1/20 0.53
GPR84 Q9NQS5 7/20 0.52
PPARG P37231 7/20 0.52
PPARD Q03181 7/20 0.52
PPARA Q07869 7/20 0.52
HDAC11 Q96DB2 5/20 0.52
PTPN1 P18031 3/20 0.52
ALDH1A1 P00352 2/20 0.52
TLR2 O60603 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
FABP4 P15090 2/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
SLC22A8 Q8TCC7 1/20 0.52
MEN1 O00255 1/20 0.52
ESR1 P03372 1/20 0.52
ALOX15 P16050 1/20 0.52
PDE4A P27815 1/20 0.52

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
SCHEMBL10921991 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL510987 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL11440566 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL7986117 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL7515931 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL1490829 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL1490728 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL10967390 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL1816891 0.97 CES2 (0.53) CES2CES1TSHRGPR84PPARG
SCHEMBL457194 0.97 CES2 (0.53) CES2CES1TSHRGPR84PPARG

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
US-8779174-B2 Titanium complex, processes for producing the same, titanium-containing thin film, and process for producing the same TOSOH CORPORATION (JP) 2014-07-15 US disclosed
CN-102066313-B Titanium complex and method for producing same, titanium-containing thin film and method for producing same TOSOH CORP 2014-04-02 CN disclosed
US-20120029220-A1 TITANIUM COMPLEX, PROCESSES FOR PRODUCING THE SAME, TITANIUM-CONTAINING THIN FILM, AND PROCESS FOR PRODUCING THE SAME SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2012-02-02 US disclosed
CN-102066313-A Titanium complex and method for producing same, titanium-containing thin film and method for producing same TOSOH CORP 2011-05-18 CN 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-20120029220-A1 TITANIUM COMPLEX, PROCESSES FOR PRODUCING THE SAME, TITANIUM-CONTAINING THIN FILM, AND PROCESS FOR PRODUCING THE SAME ADH1A, F3, RIF1 CES2 3468/4885CES1 1991/4885TSHR 1927/4885

“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.