SCHEMBL15948631

SCHEMBL15948631

O=CCCC(=O)/C=C/c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.56
NFKB1 P19838 1/20 0.56
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 4/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
MAOB P27338 1/20 0.42
PTGS2 P35354 1/20 0.42
GLO1 Q04760 1/20 0.42
CAMK2A Q9UQM7 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 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
SCHEMBL10971774 0.84 ALDH1A1 (0.71) JUNNFKB1ALDH1A1RAB9AKMT2A
SCHEMBL4458908 0.82 ALDH1A1 (0.73) ALDH1A1RAB9AKMT2AKDM4EMAPT
SCHEMBL16123274 0.79 JUN (0.61) JUNNFKB1ALDH1A1RAB9AKMT2A
SCHEMBL7075915 0.77 APP (0.60) JUNNFKB1ALDH1A1RAB9AKMT2A
SCHEMBL7075918 0.77 APP (0.60) JUNNFKB1ALDH1A1RAB9AKMT2A
SCHEMBL12313026 0.77 JUN (0.53) JUNNFKB1ALDH1A1RAB9AKMT2A
SCHEMBL25765983 0.77 JUN (0.62) JUNNFKB1ALDH1A1RAB9AKMT2A
SCHEMBL12264483 0.76 JUN (0.51) JUNNFKB1ALDH1A1RAB9AKMT2A
SCHEMBL18857386 0.76 JUN (0.51) JUNNFKB1ALDH1A1RAB9AKMT2A
SCHEMBL5598762 0.73 JUN (1.00) JUNNFKB1ALDH1A1RAB9AKMT2A

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-9145387-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-09-29 US disclosed
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 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-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 JUN 518/4885NFKB1 1659/4885ALDH1A1 2838/4885

“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.