SCHEMBL7548702

SCHEMBL7548702

CC(CC(C)C)=C(C#N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 1/20 0.33
CYP2C19 P33261 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL9099330 1.00 ALDH1A1 (0.41) ALDH1A1TDP1CA2CYP2C19MMP1
SCHEMBL20087854 0.85 ALDH1A1 (0.42) ALDH1A1TDP1CA2CYP2C19
SCHEMBL7548122 0.76 GRIK1 (0.35) ALDH1A1TDP1CA2
SCHEMBL9408173 0.76 ALDH1A1 (0.46) ALDH1A1TDP1
SCHEMBL5109759 0.76 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL7544283 0.73 FFAR3 (0.32) ALDH1A1TDP1
SCHEMBL6263184 0.72 HDAC3 (0.39) ALDH1A1
SCHEMBL6263180 0.72 HDAC3 (0.39) ALDH1A1
SCHEMBL16469 0.71 ALDH1A1 (0.41) ALDH1A1TDP1CA2CYP2C19MMP1
SCHEMBL7547018 0.71 CES1 (0.34) ALDH1A1TDP1

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
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
EP-0609371-B1 THIENOPYRAZINE-2,3-DIONES USEFUL FOR TREATING CNS DISORDERS, AND THEIR PREPARATION. NOVO NORDISK AS (DK) 1996-04-24 EP disclosed
EP-0609371-A1 THIENOPYRAZINE-2,3-DIONES AND THEIR PREPARATION AND USE. NOVO NORDISK AS (DK) 1994-08-10 EP disclosed
US-5284847-A Neurological and psychological disorders; antagonist at the glycine binding site on the N-methyl-D-aspartate receptor complex NOVO NORDISK A/S (DK) 1994-02-08 US disclosed
WO-1993008197-A1 THIENOPYRAZINE-2,3-DIONES AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-04-29 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 3677/4885TDP1 4493/4885CA2 2065/4885

“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.