SCHEMBL16781998

SCHEMBL16781998

O=C(c1ccccc1)C(c1ccccc1)c1cccc(F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.69
TDP1 Q9NUW8 1/20 0.69
CES2 O00748 3/20 0.58
CES1 P23141 3/20 0.58
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
PTPN1 P18031 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.47
CNR2 P34972 1/20 0.47
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
PARP1 P09874 1/20 0.46
EPHX1 P07099 1/20 0.44
KCNK3 O14649 1/20 0.44
GPR139 Q6DWJ6 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL16807290 0.91 L3MBTL1 (0.57) L3MBTL1TDP1CES2CES1HDAC4
SCHEMBL16781985 0.89 TDP1 (0.54) L3MBTL1TDP1CES2CES1HDAC4
SCHEMBL16807287 0.84 L3MBTL1 (0.77) L3MBTL1TDP1CES2CES1HDAC4
SCHEMBL2927912 0.83 L3MBTL1 (1.00) L3MBTL1TDP1CES2CES1HDAC4
SCHEMBL18438932 0.83 CES2 (0.84) L3MBTL1TDP1CES2CES1HDAC4
SCHEMBL9803692 0.82 TDP1 (0.73) L3MBTL1TDP1CES2CES1HDAC4
SCHEMBL11751753 0.81 CES2 (0.57) L3MBTL1TDP1CES2CES1HDAC4
SCHEMBL30076063 0.81 CES2 (0.57) L3MBTL1TDP1CES2CES1HDAC4
SCHEMBL28956816 0.81 CES2 (0.57) L3MBTL1TDP1CES2CES1HDAC4
SCHEMBL29110261 0.80 MEN1 (0.56) L3MBTL1TDP1CES2CES1HDAC4

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 L3MBTL1 4386/4885TDP1 4876/4885CES2 408/4885

“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.