SCHEMBL16807282

SCHEMBL16807282

COc1cccc(C(C(=O)c2ccc(Cl)cc2)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MDM2 Q00987 1/20 0.47
NPC1 O15118 3/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NFKB1 P19838 1/20 0.46
STAT1 P42224 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
GPR139 Q6DWJ6 2/20 0.45
HPGD P15428 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TRPM8 Q7Z2W7 2/20 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
SCHEMBL16781980 0.90 TDP1 (0.62) TDP1L3MBTL1NPC1MAPTRAB9A
SCHEMBL16807279 0.87 HPGD (0.57) TDP1L3MBTL1NPC1MAPTRAB9A
SCHEMBL24054972 0.83 MEN1 (0.49) L3MBTL1MDM2NPC1MAPTRAB9A
SCHEMBL16807276 0.82 L3MBTL1 (0.54) TDP1L3MBTL1MDM2NPC1RAB9A
SCHEMBL7560417 0.81 L3MBTL1 (0.66) TDP1L3MBTL1NPC1MAPTRAB9A
SCHEMBL16781984 0.81 L3MBTL1 (0.70) TDP1L3MBTL1MAPTPOLBMEN1
SCHEMBL28094253 0.80 TDP1 (0.56) TDP1L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL7970953 0.79 TDP1 (0.56) TDP1L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL16781985 0.79 TDP1 (0.54) TDP1L3MBTL1MDM2NPC1RAB9A
SCHEMBL22917042 0.78 MTNR1A (0.56) TDP1L3MBTL1NPC1RAB9AALDH1A1

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 5 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
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

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 TDP1 4876/4885L3MBTL1 4386/4885MDM2 1196/4885

“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.