SCHEMBL7545535

SCHEMBL7545535

CCCCOC(=O)/C(C#N)=C\N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
ATM Q13315 1/20 0.44
CYP2C9 P11712 3/20 0.44
ALDH1A1 P00352 2/20 0.42
TSHR P16473 5/20 0.42
HPGD P15428 1/20 0.42
DNM1 Q05193 3/20 0.41
HCAR2 Q8TDS4 1/20 0.40
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
PDCD1 Q15116 1/20 0.37

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
SCHEMBL7545543 1.00 TP53 (0.46) TP53ATMCYP2C9ALDH1A1TSHR
SCHEMBL7743874 0.87 TP53 (0.49) TP53ATMCYP2C9ALDH1A1TSHR
SCHEMBL7547816 0.87 TP53 (0.49) TP53ATMCYP2C9ALDH1A1TSHR
SCHEMBL14345883 0.84 ALDH1A1 (0.48) TP53ATMCYP2C9ALDH1A1TSHR
SCHEMBL14156080 0.84 ALDH1A1 (0.48) TP53ATMCYP2C9ALDH1A1TSHR
SCHEMBL7737784 0.83 TP53 (0.46) TP53ATMCYP2C9ALDH1A1TSHR
SCHEMBL7737783 0.83 TP53 (0.46) TP53ATMCYP2C9ALDH1A1TSHR
SCHEMBL5323685 0.82 CYP2C9 (0.62) TP53CYP2C9ALDH1A1TSHRMAPT
SCHEMBL5323687 0.82 CYP2C9 (0.62) TP53CYP2C9ALDH1A1TSHRMAPT
SCHEMBL7745794 0.81 TP53 (0.45) TP53ATMCYP2C9ALDH1A1TSHR

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-20020065314-A1 COMPOSITIONS AND METHOD FOR STIMULATING HAIR GROWTH S.N. BIOTECH, INC. 2002-05-30 US disclosed
US-5767152-A USING A CYANOCARBOXYLIC ACID S.N. BIOTECH, INC. 1998-06-16 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-20020065314-A1 COMPOSITIONS AND METHOD FOR STIMULATING HAIR GROWTH AREG, NGF, HDGF TP53 3945/4885ATM 4360/4885CYP2C9 4278/4885

“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.