SCHEMBL3661460

SCHEMBL3661460

CCC(C)CC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.64
MME P08473 3/20 0.64
CPA1 P15085 2/20 0.64
ACE2 Q9BYF1 2/20 0.64
HRH4 Q9H3N8 1/20 0.53
MMP9 P14780 3/20 0.50
MMP8 P22894 2/20 0.50
MMP14 P50281 1/20 0.50
MMP2 P08253 1/20 0.49
PIN1 Q13526 1/20 0.47
TACR1 P25103 1/20 0.47
CTNNB1 P35222 1/20 0.46
REN P00797 4/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45

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
SCHEMBL3661115 0.88 ACE (0.61) ACEMMECPA1ACE2HRH4
SCHEMBL8673931 0.88 ACE (0.61) ACEMMECPA1ACE2HRH4
SCHEMBL3654490 0.85 MME (0.64) ACEMMECPA1ACE2HRH4
SCHEMBL8673936 0.85 MME (0.64) ACEMMECPA1ACE2HRH4
SCHEMBL3660953 0.85 ACE (0.58) ACEMMECPA1ACE2HRH4
SCHEMBL3660841 0.84 MME (0.62) ACEMMECPA1ACE2HRH4
SCHEMBL8668240 0.84 MME (0.62) ACEMMECPA1ACE2HRH4
SCHEMBL3662085 0.81 HRH4 (0.60) ACEMMECPA1ACE2HRH4
SCHEMBL3659047 0.81 ACE (0.73) ACEMMECPA1ACE2HRH4
SCHEMBL3662089 0.81 HRH4 (0.60) ACEMMECPA1ACE2HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9364424-B2 Topical cosmetic skin lightening compositions and methods of use thereof STIEFEL LABORATORIES, INC. (US) 2016-06-14 US disclosed
US-20160074315-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. 2016-03-17 US disclosed
EP-2219600-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. (US) 2010-08-25 EP disclosed
WO-2009067095-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. (US) 2009-05-28 WO disclosed
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

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 ACE 4366/4885MME 3331/4885CPA1 4056/4885
US-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR ACE 3194/4885MME 570/4885CPA1 1042/4885

“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.