SCHEMBL647170

SCHEMBL647170

CCCCC1=CC(=C(c2ccccc2)c2ccccc2)C=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
PTGS2 P35354 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ATM Q13315 1/20 0.35
NAAA Q02083 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
ESR1 P03372 1/20 0.34
RGS12 O14924 1/20 0.34
APOBEC3A P31941 1/20 0.34
HTT P42858 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
AGTR1 P30556 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 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
SCHEMBL24959939 0.77 TDP1 (0.33) TDP1HDAC6PPARGPPARA
SCHEMBL743416 0.75 TDP1 (0.32) TDP1HDAC6
Methylamine SCHEMBL27564616 0.73 NPC1 (0.38) HTT
SCHEMBL5086744 0.69 MEN1 (0.41) CES2CES1TDP1HDAC6ATM
SCHEMBL28870170 0.68 TDP1 (0.32) TDP1HDAC6
SCHEMBL27886277 0.67 HSD11B1 (0.33) CES2CES1LIPG
SCHEMBL647169 0.66 PTGS2 (0.38) CES2CES1PTGS2TDP1ATM
SCHEMBL24959941 0.65 PPARG (0.32) TDP1PPARGPPARA
SCHEMBL2274381 0.65 TDP1 (0.39) TDP1HDAC6ATMHTTHSP90AA1
SCHEMBL5084156 0.65 TDP1 (0.36) CES2CES1TDP1HDAC6ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2201047-B1 POLYMERIZATION CATALYSTS FOR PRODUCING POLYMERS WITH LOW MELT ELASTICITY CHEVRON PHILLIPS CHEMICAL CO (US) 2016-05-04 EP disclosed
US-8637691-B2 Polymerization catalysts for producing polymers with low melt elasticity CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2014-01-28 US disclosed
US-20130245302-A1 POLYMERIZATION CATALYSTS FOR PRODUCING POLYMERS WITH LOW MELT ELASTICITY CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2013-09-19 US disclosed
US-8450437-B2 Polymerization catalysts for producing polymers with low melt elasticity CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2013-05-28 US disclosed
US-20120108765-A1 POLYMERIZATION CATALYSTS FOR PRODUCING POLYMERS WITH LOW MELT ELASTICITY CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2012-05-03 US disclosed
US-8119553-B2 Polymerization catalysts for producing polymers with low melt elasticity CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2012-02-21 US disclosed
EP-2201047-A2 POLYMERIZATION CATALYSTS FOR PRODUCING POLYMERS WITH LOW MELT ELASTICITY Chevron Phillips Chemical Company LP (US) 2010-06-30 EP disclosed
WO-2009045301-A2 POLYMERIZATION CATALYSTS FOR PRODUCING POLYMERS WITH LOW MELT ELASTICITY YU YOULU (US) 2009-04-09 WO disclosed
US-20090088543-A1 Polymerization catalysts for producing polymers with low melt elasticity CHEVRON PHILLIPS CHEMICAL COMPANY LP 2009-04-02 US 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-20130245302-A1 POLYMERIZATION CATALYSTS FOR PRODUCING POLYMERS WITH LOW MELT ELASTICITY MCM4, CKAP4, MDM4 CES2 1485/4885CES1 4275/4885PTGS2 1643/4885

“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.