SCHEMBL16781981

SCHEMBL16781981

O=C(c1ccc(Cl)cc1)C(c1ccccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.51
PPARG P37231 3/20 0.51
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PTPN1 P18031 1/20 0.49
ACP3 P15309 2/20 0.48
MDM2 Q00987 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
MPO P05164 1/20 0.44
TACR1 P25103 2/20 0.44
SRD5A2 P31213 1/20 0.43
SLC6A9 P48067 1/20 0.43
MGLL Q99685 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
IDO1 P14902 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
SCHEMBL16781986 0.90 TDP1 (0.62) CES2TDP1L3MBTL1PTPN1ACP3
SCHEMBL16781978 0.87 PTPN1 (0.59) CES2PPARGTDP1L3MBTL1PTPN1
SCHEMBL16781987 0.83 PTPN1 (0.54) CES2TDP1L3MBTL1PTPN1ACP3
SCHEMBL16781985 0.82 TDP1 (0.54) CES2TDP1L3MBTL1PTPN1MDM2
SCHEMBL16781984 0.81 L3MBTL1 (0.70) CES2TDP1L3MBTL1PTPN1SLC6A9
SCHEMBL16807276 0.79 L3MBTL1 (0.54) CES2TDP1L3MBTL1ACP3MDM2
SCHEMBL16781988 0.77 TDP1 (0.59) CES2TDP1L3MBTL1PTPN1MDM2
SCHEMBL11103452 0.77 ACP3 (0.55) CES2L3MBTL1ACP3TACR1MEN1
SCHEMBL16781996 0.76 PTPN1 (0.72) CES2TDP1L3MBTL1PTPN1ACP3
SCHEMBL16807282 0.76 TDP1 (0.50) TDP1L3MBTL1MDM2MEN1ALDH1A1

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 CES2 408/4885PPARG 3949/4885TDP1 4876/4885

“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.