SCHEMBL7546515

SCHEMBL7546515

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.45
CES2 O00748 1/20 0.39
THRB P10828 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
ALDH1A1 P00352 4/20 0.37
AKR1B1 P15121 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
GPR84 Q9NQS5 7/20 0.35
PPARG P37231 6/20 0.35
PPARD Q03181 6/20 0.35
PPARA Q07869 6/20 0.35
HDAC11 Q96DB2 5/20 0.35
TSHR P16473 4/20 0.35
TLR2 O60603 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
FABP4 P15090 2/20 0.35
PTPN1 P18031 2/20 0.35

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
SCHEMBL540687 0.92 THRB (0.47) CES1CES2THRBFNTAFNTB
Nitrous Acid SCHEMBL8674729 0.88 THRB (0.40) CES1CES2THRBFNTAFNTB
Nitrous Acid SCHEMBL8674734 0.88 THRB (0.40) CES1CES2THRBFNTAFNTB
SCHEMBL6263184 0.88 HDAC3 (0.39) CES1CES2THRBFNTAFNTB
SCHEMBL6263180 0.88 HDAC3 (0.39) CES1CES2THRBFNTAFNTB
SCHEMBL7546476 0.82 CES1 (0.41) CES1CES2ALDH1A1AKR1B1TP53
Acrylamide SCHEMBL27921595 0.81 FAAH (0.38) THRBFNTAFNTBPGGT1BALDH1A1
SCHEMBL5109759 0.79 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL7542632 0.78 AKR1B1 (0.45) CES1CES2ALDH1A1AKR1B1GPR84
SCHEMBL7552128 0.78 CES1 (0.39) CES1CES2ALDH1A1AKR1B1TP53

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 3225/4885THRB 54/4885

“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.