SCHEMBL7542791

SCHEMBL7542791

CC(C)COC(=O)/C(C#N)=C\c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
MAPT P10636 5/20 0.61
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
KDM4E B2RXH2 5/20 0.57
THRB P10828 1/20 0.57
TP53 P04637 1/20 0.57
POLB P06746 1/20 0.53
HPGD P15428 2/20 0.53
MCL1 Q07820 1/20 0.53
PDCD1 Q15116 1/20 0.52
CD274 Q9NZQ7 1/20 0.52
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.49
LMNA P02545 2/20 0.48
IDE P14735 1/20 0.48
PLIN1 O60240 1/20 0.48
PLIN5 Q00G26 1/20 0.48

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
SCHEMBL21457644 1.00 ALDH1A1 (0.61) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL7542795 1.00 ALDH1A1 (0.61) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL21457614 0.88 TDP1 (0.53) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL21457617 0.88 TDP1 (0.53) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL21457165 0.87 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL21457553 0.87 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL21457550 0.87 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL21457161 0.87 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL21457145 0.87 KDM4E (0.60) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL21457509 0.86 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AMEN1KDM4E

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 4557/4885KMT2A 4564/4885

“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.