SCHEMBL16807292

SCHEMBL16807292

CC(=O)C(c1ccc(C)cc1)c1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 2/20 0.50
KMT2A Q03164 7/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 5/20 0.41
ALOX5 P09917 1/20 0.41
POLB P06746 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
S1PR3 Q99500 1/20 0.40
LMNA P02545 1/20 0.39
STAT3 P40763 1/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL4146178 0.92 CYP1A2 (0.57) CYP1A2KMT2AMEN1ALOX5POLB
Acetone SCHEMBL8119850 0.85 STAT3 (0.42) ALDH1A1KMT2AMEN1ALOX5POLB
SCHEMBL6691326 0.84 KMT2A (0.56) ALDH1A1CYP1A2KMT2AL3MBTL1MEN1
SCHEMBL28860941 0.82 ACHE (0.54) ALDH1A1CYP1A2ALOX5POLBCYP3A4
SCHEMBL11641774 0.82 CNR1 (0.54) ALDH1A1KMT2AL3MBTL1MEN1POLB
SCHEMBL16807291 0.80 ACHE (0.52) ALDH1A1CYP1A2KMT2AMEN1LMNA
SCHEMBL5351433 0.74 ALDH1A1 (0.62) ALDH1A1CYP1A2KMT2AMEN1ALOX5
SCHEMBL370421 0.73 ALDH1A1 (0.48) ALDH1A1CYP1A2KMT2AMEN1CYP2C19
SCHEMBL4440506 0.73 AKR1C3 (0.38) ALDH1A1KMT2AMEN1ALOX5POLB
SCHEMBL12280124 0.72 CYP1A2 (0.55) ALDH1A1CYP1A2ALOX5POLBLMNA

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 ALDH1A1 180/4885CYP1A2 10/4885KMT2A 1742/4885

“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.