SCHEMBL4654692

SCHEMBL4654692

NCC(O)CC(=O)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.50
LMNA P02545 1/20 0.50
CYP19A1 P11511 1/20 0.44
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
ELANE P08246 1/20 0.40
SLC1A3 P43003 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALOX15 P16050 2/20 0.37
HPGD P15428 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
SCHEMBL27955868 0.82 CYP19A1 (0.44) LMNACYP19A1PRSS1PRSS2PRSS3
SCHEMBL27628863 0.82 ELANE (0.47) LMNACYP19A1MMP12MMP13ELANE
SCHEMBL27697637 0.82 ELANE (0.47) LMNACYP19A1MMP12MMP13ELANE
SCHEMBL27897138 0.82 ELANE (0.47) LMNACYP19A1MMP12MMP13ELANE
SCHEMBL27684657 0.81 CYP19A1 (0.46) CYP19A1PRSS1PRSS2PRSS3MMP12
SCHEMBL27833901 0.81 CYP19A1 (0.49) LMNACYP19A1PRSS1PRSS2PRSS3
SCHEMBL27899878 0.79 ELANE (0.45) LMNACYP19A1MMP12MMP13ELANE
SCHEMBL27929227 0.78 ELANE (0.44) CYP19A1PRSS1PRSS2PRSS3GABBR2
SCHEMBL1870721 0.78 LMNA (0.50) LMNACYP19A1ELANEATML3MBTL1
SCHEMBL43401 0.77 CYP19A1 (0.52) LMNACYP19A1PRSS1PRSS2PRSS3

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
EP-1602354-B1 Use of polyglutamic acid or its salts MEIJI SEIKA KAISHA (JP) 2008-11-05 EP disclosed
EP-1604647-B1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof CHISSO CORP (JP) 2008-05-07 EP disclosed
US-20060165636-A1 Hair treatment composition and hair cosmetic for damaged hair MEIJI SEIKA KAISHA, LTD. (JP) 2006-07-27 US disclosed
US-20060018867-A1 Cosmetic composition and production thereof ICHIMARU PHARCOS CO., LTD 2006-01-26 US disclosed
EP-1604647-A1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof Ichimaru Pharcos Co., Ltd. (JP) 2005-12-14 EP disclosed
EP-1602354-A1 HAIR TREATMENT COMPOSITION AND HAIR COSMETIC FOR DAMAGED HAIR Meiji Seika Kaisha, Ltd. (JP) 2005-12-07 EP disclosed
CN-1156410-A Anti-stress, anti-injury and anti-aging medicine and production method thereof RIGA D (RO) 1997-08-06 CN 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-20060165636-A1 Hair treatment composition and hair cosmetic for damaged hair CUTA, COL14A1, PRKDC GABRR1 707/4885LMNA 2112/4885CYP19A1 3206/4885
US-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR GABRR1 3461/4885LMNA 142/4885CYP19A1 3049/4885

“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.