SCHEMBL7544282

SCHEMBL7544282

CCCC=C(C#N)C(=O)OCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
MAPT P10636 6/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CYP2C9 P11712 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 4/20 0.42
KDM4E B2RXH2 2/20 0.40
THRB P10828 1/20 0.40
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTP4A1 Q93096 1/20 0.35
MIF P14174 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 2/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35

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
SCHEMBL7737775 1.00 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2ACYP2C9
SCHEMBL22502666 0.91 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2ACYP2C9
SCHEMBL7745781 0.90 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2ACYP2C9
SCHEMBL7547010 0.90 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2ACYP2C9
SCHEMBL6668627 0.90 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2ACYP2C9
SCHEMBL22502668 0.90 CYP2C9 (0.41) ALDH1A1MAPTMEN1KMT2ACYP2C9
SCHEMBL7542229 0.89 MAPT (0.43) ALDH1A1MAPTMEN1KMT2ACYP2C9
SCHEMBL7743752 0.89 MAPT (0.43) ALDH1A1MAPTMEN1KMT2ACYP2C9
SCHEMBL7745769 0.88 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ACYP2C9
SCHEMBL7548113 0.88 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ACYP2C9

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 7 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 claimed
EP-0824316-A4 COMPOSITIONS AND METHODS FOR STIMULATING HAIR GROWTH NIELSEN THOR B (US) 2001-01-17 EP claimed
US-5767152-A USING A CYANOCARBOXYLIC ACID S.N. BIOTECH, INC. 1998-06-16 US claimed
EP-0824316-A1 COMPOSITIONS AND METHODS FOR STIMULATING HAIR GROWTH Nielsen, Thor, B. (US) 1998-02-25 EP claimed
WO-1996034526-A1 COMPOSITIONS AND METHODS FOR STIMULATING HAIR GROWTH NIELSEN THOR B (US) 1996-11-07 WO claimed
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 ALDH1A1 3677/4885MAPT 4557/4885MEN1 2193/4885

“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.