SCHEMBL16781978

SCHEMBL16781978

O=C(c1ccc(Cl)cc1)C(c1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.59
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CES2 O00748 2/20 0.54
CES1 P23141 2/20 0.54
GSK3B P49841 1/20 0.49
PDPK1 O15530 1/20 0.48
ACP3 P15309 1/20 0.48
CYP3A4 P08684 3/20 0.46
UTS2R Q9UKP6 2/20 0.46
CNR2 P34972 1/20 0.46
PPARG P37231 3/20 0.45
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
TACR1 P25103 1/20 0.43
CNR1 P21554 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRB2 P47870 1/20 0.43

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
SCHEMBL16781996 0.89 PTPN1 (0.72) PTPN1TDP1L3MBTL1CES2CES1
SCHEMBL16781984 0.87 L3MBTL1 (0.70) PTPN1TDP1L3MBTL1CES2CES1
SCHEMBL16781981 0.87 CES2 (0.51) PTPN1TDP1L3MBTL1CES2ACP3
SCHEMBL16781988 0.83 TDP1 (0.59) PTPN1TDP1L3MBTL1CES2CES1
SCHEMBL7589819 0.82 L3MBTL1 (0.73) PTPN1TDP1L3MBTL1CES2CES1
SCHEMBL11605838 0.81 L3MBTL1 (0.70) PTPN1TDP1L3MBTL1CES2CES1
SCHEMBL16807274 0.80 L3MBTL1 (0.59) PTPN1TDP1L3MBTL1CES2CES1
SCHEMBL11753690 0.80 CES2 (0.58) PTPN1CES2CES1GSK3BUTS2R
SCHEMBL11750309 0.80 CES2 (0.58) PTPN1CES2CES1GSK3BUTS2R
SCHEMBL16781993 0.78 L3MBTL1 (0.61) PTPN1TDP1L3MBTL1CES2CES1

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-9656947-B2 Process for creating carbon-carbon bonds using carbonyl compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2017-05-23 US disclosed
US-9656947-B2 Process for creating carbon-carbon bonds using carbonyl compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2017-05-23 US disclosed
US-9656947-B2 Process for creating carbon-carbon bonds using carbonyl compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2017-05-23 US disclosed
EP-2858966-B1 PROCESS FOR CREATING CARBON-CARBON BONDS USING CARBONYL COMPOUNDS CENTRE NAT RECH SCIENT (FR) 2016-08-10 EP disclosed
EP-2858966-B1 PROCESS FOR CREATING CARBON-CARBON BONDS USING CARBONYL COMPOUNDS CENTRE NAT RECH SCIENT (FR) 2016-08-10 EP disclosed
US-20150166464-A1 PROCESS FOR CREATING CARBON-CARBON BONDS USING CARBONYL COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N. R.S.) (FR) 2015-06-18 US disclosed
US-20150166464-A1 PROCESS FOR CREATING CARBON-CARBON BONDS USING CARBONYL COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N. R.S.) (FR) 2015-06-18 US disclosed
US-20150166464-A1 PROCESS FOR CREATING CARBON-CARBON BONDS USING CARBONYL COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N. R.S.) (FR) 2015-06-18 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-20150166464-A1 PROCESS FOR CREATING CARBON-CARBON BONDS USING CARBONYL COMPOUNDS CBR3, CBR1, CYP4F3 PTPN1 4167/4885TDP1 4876/4885L3MBTL1 4386/4885

“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.