SCHEMBL3656170

SCHEMBL3656170

COC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CCC(C)C

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MME P08473 2/20 0.50
ACE P12821 2/20 0.50
HCRTR1 O43613 1/20 0.50
MMP9 P14780 3/20 0.47
MMP8 P22894 2/20 0.47
MMP2 P08253 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
OPRK1 P41145 2/20 0.46
CTSD P07339 1/20 0.46
MMP14 P50281 1/20 0.46
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 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
SCHEMBL3656658 0.91 TACR1 (0.56) TACR1MMEACEMMP9MMP8
SCHEMBL3660470 0.91 TACR1 (0.53) TACR1MEN1KMT2AMMEACE
SCHEMBL3662925 0.91 TACR1 (0.51) TACR1MEN1KMT2AMMEACE
SCHEMBL3653219 0.89 MME (0.61) TACR1MEN1KMT2AMMEACE
SCHEMBL3654101 0.89 CTSS (0.53) TACR1MMEACEMMP9MMP8
SCHEMBL3662917 0.89 TACR1 (0.52) TACR1MEN1KMT2AMMEACE
SCHEMBL3657160 0.87 FNTA (0.51) TACR1MEN1KMT2AMMEACE
SCHEMBL3654406 0.87 MME (0.51) TACR1MMEACEMMP9MMP8
SCHEMBL3663836 0.86 FNTA (0.50) TACR1MEN1KMT2AMMEACE
SCHEMBL11027962 0.82 TACR1 (0.69) TACR1MEN1KMT2AMMEACE

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 3585/4885MEN1 1028/4885KMT2A 847/4885

“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.