SCHEMBL17599985

SCHEMBL17599985

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 1/20 0.42
CNR2 P34972 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RELA Q04206 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP2A6 P11509 1/20 0.39
CYP2A13 Q16696 1/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 1/20 0.39
CYP1B1 Q16678 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL17615227 1.00 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMEN1RAB9A
SCHEMBL17599982 0.84 TDP1 (0.45) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL17615218 0.81 CNR1 (0.45) ALDH1A1KMT2AMEN1HPGDCNR2
SCHEMBL17616407 0.77 ACP3 (0.53) ALDH1A1KMT2ARAB9ANPC1CNR2
SCHEMBL17599932 0.77 ACP3 (0.53) ALDH1A1KMT2ARAB9ANPC1CNR2
SCHEMBL17615223 0.76 CTSB (0.38) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL9658308 0.76 KMT2A (0.61) ALDH1A1KDM4EKMT2AMEN1RAB9A
SCHEMBL14741002 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EKMT2AMEN1RAB9A
SCHEMBL1515785 0.74 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2AMEN1RAB9A
SCHEMBL11442217 0.74 CYP2D6 (0.65) ALDH1A1KDM4EKMT2AMEN1RAB9A

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 2 patents. 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 claimed
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 ALDH1A1 1/4885KDM4E 856/4885KMT2A 996/4885

“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.