SCHEMBL16781990

SCHEMBL16781990

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.56
HDAC4 P56524 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
S1PR1 P21453 1/20 0.51
S1PR3 Q99500 1/20 0.51
CNR2 P34972 2/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
IDO1 P14902 2/20 0.48
TDO2 P48775 2/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL11287246 0.91 HDAC4 (0.61) CNR1HDAC4HDAC7HDAC5S1PR1
SCHEMBL9337191 0.87 CNR1 (0.56) CNR1HDAC4HDAC7HDAC5S1PR1
SCHEMBL465969 0.86 TDP1 (0.61) CNR1HDAC4HDAC7HDAC5CNR2
Phosphine SCHEMBL28775755 0.84 TDP1 (0.58) CNR1HDAC4HDAC7HDAC5CNR2
SCHEMBL4505807 0.83 HTT (0.56) CNR1HDAC4HDAC7HDAC5S1PR1
SCHEMBL28419252 0.83 BRD4 (0.55) CNR1HDAC4HDAC7HDAC5S1PR1
SCHEMBL9307280 0.83 L3MBTL1 (0.48) HDAC4HDAC7HDAC5CNR2MEN1
SCHEMBL16781984 0.82 L3MBTL1 (0.70) CNR1HDAC4HDAC7HDAC5CNR2
SCHEMBL5132036 0.80 CNR1 (0.54) CNR1HDAC4HDAC7HDAC5CNR2
SCHEMBL467546 0.79 HDAC4 (0.59) CNR1HDAC4HDAC7HDAC5S1PR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102351675-A Preparation process of 4-chlorophenyl benzyl ketone UNIV CHANGZHOU 2012-02-15 CN claimed
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-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
CN-104661987-A Process for creating carbon-carbon bonds using carbonyl compounds CENTRE NAT RECH SCIENT 2015-05-27 CN disclosed
CN-102351675-A Preparation process of 4-chlorophenyl benzyl ketone UNIV CHANGZHOU 2012-02-15 CN disclosed
CN-85101497-A Process for the preparation of N-aryl-3-aryl-4, 5-dihydro-1H-pyrazole-1-carboxamides 1986-07-16 CN 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 CNR1 1417/4885HDAC4 2766/4885HDAC7 3001/4885

“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.