SCHEMBL17615218

SCHEMBL17615218

C=C(C=O)[C@H](c1ccccc1)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KEAP1 Q14145 3/20 0.37
NFE2L2 Q16236 3/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP2D6 P10635 1/20 0.36
TP53 P04637 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36

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
SCHEMBL17599982 0.89 TDP1 (0.45) MEN1KMT2ALMNAL3MBTL1CES2
SCHEMBL17615223 0.83 CTSB (0.38) CNR1CNR2MEN1KMT2ALMNA
SCHEMBL17615227 0.81 ALDH1A1 (0.46) CNR2MEN1KMT2AL3MBTL1TDP1
SCHEMBL17599985 0.81 ALDH1A1 (0.46) CNR2MEN1KMT2AL3MBTL1TDP1
SCHEMBL17599932 0.81 ACP3 (0.53) CNR1CNR2KMT2AL3MBTL1CES2
SCHEMBL17616407 0.81 ACP3 (0.53) CNR1CNR2KMT2AL3MBTL1CES2
SCHEMBL17615173 0.78 TACR1 (0.40) CNR1CNR2MEN1KMT2ATDP1
SCHEMBL17615221 0.78 MEN1 (0.39) MEN1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL17616409 0.77 L3MBTL1 (0.47) MEN1KMT2ALMNAL3MBTL1TDP1
SCHEMBL17599963 0.77 L3MBTL1 (0.47) MEN1KMT2ALMNAL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083409-A1 METHOD FOR THE PREPARATION OF alpha-SUBSTITUTED ACRYL ALDEHYDES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-03-24 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-20160083409-A1 METHOD FOR THE PREPARATION OF alpha-SUBSTITUTED ACRYL ALDEHYDES ALDH1A1, ALDH3A1, ADH1A CNR1 1284/4885CNR2 2578/4885MEN1 2483/4885

“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.