SCHEMBL7546476

SCHEMBL7546476

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.41
CES2 O00748 1/20 0.41
ALDH1A1 P00352 3/20 0.38
AKR1B1 P15121 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 7/20 0.37
PPARD Q03181 7/20 0.37
PPARA Q07869 7/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37
PTPN1 P18031 3/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL7542632 0.96 AKR1B1 (0.45) CES1CES2ALDH1A1AKR1B1KMT2A
SCHEMBL7552128 0.96 CES1 (0.39) CES1CES2ALDH1A1AKR1B1TP53
SCHEMBL7542466 0.94 KMT2A (0.47) CES1CES2ALDH1A1AKR1B1KMT2A
SCHEMBL7548078 0.94 KMT2A (0.47) CES1CES2ALDH1A1AKR1B1KMT2A
SCHEMBL1074448 0.94 AKR1B1 (0.46) CES1CES2ALDH1A1AKR1B1KMT2A
SCHEMBL7545293 0.92 CES1 (0.39) CES1CES2ALDH1A1AKR1B1TP53
SCHEMBL31625063 0.92 KMT2A (0.48) CES1CES2ALDH1A1AKR1B1KMT2A
SCHEMBL11910004 0.92 KMT2A (0.48) CES1CES2ALDH1A1AKR1B1KMT2A
SCHEMBL8600596 0.87 HDAC3 (0.40) CES1CES2ALDH1A1AKR1B1KMT2A
SCHEMBL8673175 0.86 AKR1B1 (0.43) CES1CES2ALDH1A1AKR1B1KMT2A

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 3 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

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 CES1 4040/4885CES2 3225/4885ALDH1A1 3677/4885

“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.