SCHEMBL7544155

SCHEMBL7544155

C=C(C#N)C(=O)NC(CCCCC)OCC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.33
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
PRSS1 P07477 1/20 0.31
CTSG P08311 1/20 0.31
CTRB1 P17538 1/20 0.31
CMA1 P23946 1/20 0.31
GPR84 Q9NQS5 3/20 0.30
FFAR1 O14842 1/20 0.30
CA1 P00915 1/20 0.30

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
SCHEMBL7548739 0.99 ALDH1A1 (0.38) ALDH1A1TSHRZDHHC7GPR84FFAR1
SCHEMBL7544981 0.99 ALDH1A1 (0.38) ALDH1A1TSHRZDHHC7GPR84FFAR1
SCHEMBL7542057 0.99 ALDH1A1 (0.38) ALDH1A1TSHRZDHHC7GPR84FFAR1
SCHEMBL7541408 0.99 ALDH1A1 (0.38) ALDH1A1TSHRZDHHC7GPR84FFAR1
SCHEMBL7546479 0.96 ALDH1A1 (0.40) ALDH1A1TSHRCTSSCTSKCA1
SCHEMBL7547882 0.90 TSHR (0.35) ALDH1A1TSHRZDHHC7CTSSCTSK
SCHEMBL7547834 0.90 TSHR (0.35) ALDH1A1TSHRZDHHC7CTSSCTSK
SCHEMBL7545523 0.90 ALDH1A1 (0.46) ALDH1A1TSHRCTSSCTSK
SCHEMBL7550556 0.89 ZDHHC7 (0.35) ALDH1A1TSHRZDHHC7GPR84FFAR1
SCHEMBL7544971 0.89 ZDHHC7 (0.35) ALDH1A1TSHRZDHHC7GPR84FFAR1

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 6 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
US-20020065314-A1 COMPOSITIONS AND METHOD FOR STIMULATING HAIR GROWTH S.N. BIOTECH, INC. 2002-05-30 US disclosed
EP-0824316-A4 COMPOSITIONS AND METHODS FOR STIMULATING HAIR GROWTH NIELSEN THOR B (US) 2001-01-17 EP disclosed
US-5767152-A USING A CYANOCARBOXYLIC ACID S.N. BIOTECH, INC. 1998-06-16 US disclosed
EP-0824316-A1 COMPOSITIONS AND METHODS FOR STIMULATING HAIR GROWTH Nielsen, Thor, B. (US) 1998-02-25 EP disclosed
WO-1996034526-A1 COMPOSITIONS AND METHODS FOR STIMULATING HAIR GROWTH NIELSEN THOR B (US) 1996-11-07 WO 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 3677/4885TSHR 148/4885ZDHHC7 719/4885

“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.