SCHEMBL3736876

SCHEMBL3736876

O=C(O)CN=CCc1cc(O)ccc1O.[Zn]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.43
LCK P06239 3/20 0.43
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
RGS12 O14924 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
NOX4 Q9NPH5 1/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
CKS1B P61024 1/20 0.38
SKP2 Q13309 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3745545 0.98 EGFR (0.44) EGFRLCKALDH1A1MAPTTDP1
SCHEMBL3740588 0.88 TYR (0.43) ALDH1A1CA12CA1CA2ALOX5
SCHEMBL2992940 0.86 TYR (0.44) ALDH1A1CA12CA1CA2ALOX5
SCHEMBL3742472 0.84 TYR (0.43) ALDH1A1CA12CA1CA2ALOX5
SCHEMBL3734233 0.84 TYR (0.43) ALDH1A1CA12CA1CA2ALOX5
SCHEMBL3749332 0.84 TYR (0.43) ALDH1A1CA12CA1CA2ALOX5
SCHEMBL3746796 0.84 TYR (0.43) ALDH1A1CA12CA1CA2ALOX5
SCHEMBL2990736 0.84 TYR (0.43) ALDH1A1CA12CA1CA2ALOX5
Zinc Ion SCHEMBL3736872 0.83 GABRA1 (0.37) EGFRLCKALDH1A1MAPTTDP1
SCHEMBL3736826 0.78 AKR1B1 (0.52) ALDH1A1NOX4CYP1A2HIF1AHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834210-B2 Hair loss prevention by natural amino acid and peptide complexes BIODERM RESEARCH (US) 2010-11-16 US disclosed
US-20090253668-A1 Hair Loss Prevention by Natural Amino Acid and Peptide Complexes BIODERM RESEARCH (US) 2009-10-08 US disclosed
US-7572933-B2 Skin and hair restoration by natural amino acid peptide complexes BIODERM RESEARCH (US) 2009-08-11 US disclosed
US-20080287536-A1 Skin and Hair Restoration by Natural Amino Acid and Peptide Crown Complexes BIODERM RESEARCH (US) 2008-11-20 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 (2 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-20080287536-A1 Skin and Hair Restoration by Natural Amino Acid and Peptide Crown Complexes MMP17, MC1R, TYR EGFR 62/4885LCK 1023/4885ALDH1A1 3352/4885
US-20090253668-A1 Hair Loss Prevention by Natural Amino Acid and Peptide Complexes MMP1, MMP17, MMP13 EGFR 858/4885LCK 3931/4885ALDH1A1 1360/4885

“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.