SCHEMBL645218

SCHEMBL645218

CCCCCC1=CC=CC1=C(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
PTGS2 P35354 2/20 0.37
NAAA Q02083 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
ESR1 P03372 3/20 0.36
CNR1 P21554 1/20 0.35
ADRA2A P08913 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
TACR2 P21452 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SHBG P04278 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSPD1 P10809 1/20 0.35

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
SCHEMBL11879242 0.68 PTPN1 (0.40) PTGS2LIPGCNR1ACHEPTPN1
SCHEMBL3373717 0.65 ACHE (0.40) PTGS2ESR1ADRA2AADORA3TACR2
Benzoyl Chloride SCHEMBL27691168 0.63 CES2 (0.58) CES2CES1PTGS2NAAAALDH1A1
Phenol SCHEMBL27513359 0.62 CA12 (0.61) PTGS2ESR1ADRA2AADORA3TACR2
Phenol SCHEMBL28185432 0.62 CA12 (0.61) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL10633076 0.62 ACHE (0.38) PTGS2CNR1CYP3A4ACHEPTPN1
SCHEMBL11403556 0.62 RARB (0.59) PTGS2ESR1ADRA2AADORA3TACR2
Benzophenone SCHEMBL23014697 0.62 ALDH1A1 (0.67) CES2CES1NAAAALDH1A1LMNA
Hexane SCHEMBL9331141 0.62 MEN1 (0.52) CES2CES1PTGS2NAAAESR1
Benzoic Acid SCHEMBL28845500 0.62 TSHR (0.67) CES2CES1NAAAALDH1A1TP53

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.