SCHEMBL3662925

SCHEMBL3662925

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.51
MMP9 P14780 3/20 0.48
MMP8 P22894 2/20 0.48
MMP2 P08253 1/20 0.48
MME P08473 2/20 0.48
ACE P12821 2/20 0.48
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
OPRK1 P41145 1/20 0.46
MMP14 P50281 1/20 0.44
FNTA P49354 1/20 0.42
PGGT1B P53609 1/20 0.42
CTNNB1 P35222 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
ANPEP P15144 1/20 0.42
OPRD1 P41143 1/20 0.41
MEN1 O00255 1/20 0.41
HCRTR1 O43613 1/20 0.41

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
SCHEMBL3656170 0.91 TACR1 (0.53) TACR1MMP9MMP8MMP2MME
SCHEMBL3656658 0.89 TACR1 (0.56) TACR1MMP9MMP8MMP2MME
SCHEMBL3660470 0.89 TACR1 (0.53) TACR1MMP9MMP8MMP2MME
SCHEMBL3653219 0.87 MME (0.61) TACR1MMP9MMP8MMP2MME
SCHEMBL3654101 0.87 CTSS (0.53) TACR1MMP9MMP8MMP2MME
SCHEMBL3662917 0.87 TACR1 (0.52) TACR1MMP9MMP8MMP2MME
SCHEMBL3657160 0.85 FNTA (0.51) TACR1MMP9MMP8MMP2MME
SCHEMBL3654406 0.85 MME (0.51) TACR1MMP9MMP8MMP2MME
SCHEMBL3663836 0.84 FNTA (0.50) TACR1MMP9MMP8MMP2MME
SCHEMBL16459632 0.80 CTSS (0.66) TACR1MMP9MMP8MMEACE

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
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-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-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

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-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR TACR1 3585/4885MMP9 1230/4885MMP8 302/4885

“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.