SCHEMBL7545102

SCHEMBL7545102

C=C(C#N)C(=O)NC(CCC)OCCCC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
DPP4 P27487 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
SCHEMBL7545854 0.94 ALDH1A1 (0.36) TSHRALDH1A1CTSSCTSKDPP4
SCHEMBL7547834 0.93 TSHR (0.35) TSHRALDH1A1CTSSCTSK
SCHEMBL7549083 0.92 ZDHHC7 (0.35) TSHRALDH1A1
SCHEMBL7550213 0.92 ZDHHC7 (0.35) TSHRALDH1A1
SCHEMBL7541927 0.92 ZDHHC7 (0.35) TSHRALDH1A1
SCHEMBL7550556 0.92 ZDHHC7 (0.35) TSHRALDH1A1
SCHEMBL7550544 0.91 ALDH1A1 (0.41) TSHRALDH1A1CTSSCTSK
SCHEMBL7543395 0.90 TSHR (0.37) TSHRALDH1A1DPP4
SCHEMBL7542574 0.89 ALDH1A1 (0.36) TSHRALDH1A1CTSSCTSK
SCHEMBL7547882 0.87 TSHR (0.35) TSHRALDH1A1CTSSCTSK

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 TSHR 148/4885ALDH1A1 3677/4885CTSS 1214/4885

“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.