SCHEMBL16807291

SCHEMBL16807291

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
CYP1A2 P05177 1/20 0.44
NFE2L2 Q16236 1/20 0.42
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL3164969 0.92 HDAC3 (0.57) SMN1; SMN2LMNAALDH1A1TDP1HDAC3
SCHEMBL28221359 0.86 HDAC3 (0.52) SMN1; SMN2LMNAALDH1A1TDP1HDAC3
Acetone SCHEMBL8119850 0.85 STAT3 (0.42) ACHESMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL28226395 0.84 HDAC3 (0.50) SMN1; SMN2LMNATDP1HDAC3HDAC4
SCHEMBL11632137 0.84 TDP1 (0.53) SMN1; SMN2LMNAALDH1A1TDP1HDAC3
SCHEMBL2302536 0.82 BRD4 (0.53) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4226089 0.82 ACHE (0.50) ACHESMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL6976203 0.82 HDAC3 (0.48) LMNAALDH1A1TDP1HDAC3HDAC4
SCHEMBL11641774 0.82 CNR1 (0.54) SMN1; SMN2LMNAALDH1A1TDP1HDAC3
SCHEMBL28860941 0.82 ACHE (0.54) ACHELMNAALDH1A1TDP1CYP1A2

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 ACHE 605/4885SMN1; SMN2 4031/4885LMNA 3839/4885

“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.