SCHEMBL3661746

SCHEMBL3661746

O=C(N[C@@H](Cc1cccc2ccccc12)C(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 14/20 0.62
MME P08473 2/20 0.56
ACE P12821 2/20 0.56
CPA1 P15085 1/20 0.56
ACE2 Q9BYF1 1/20 0.56
HRH4 Q9H3N8 1/20 0.54
CA2 P00918 1/20 0.54
ERAP2 Q6P179 1/20 0.53
CTNNB1 P35222 1/20 0.50

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
SCHEMBL9461912 0.88 CTNNB1 (0.60) MMEACECPA1ACE2HRH4
SCHEMBL8674187 0.88 CTNNB1 (0.60) MMEACECPA1ACE2HRH4
SCHEMBL3662835 0.88 CTNNB1 (0.60) MMEACECPA1ACE2HRH4
SCHEMBL3656657 0.87 HRH4 (0.54) PIN1MMEACECPA1ACE2
SCHEMBL3662415 0.87 HRH4 (0.54) PIN1MMEACECPA1ACE2
SCHEMBL5921709 0.87 GPR132 (0.65) HRH4
SCHEMBL5921716 0.87 GPR132 (0.65) HRH4
SCHEMBL3653685 0.87 HRH4 (0.56) PIN1MMEACECPA1ACE2
SCHEMBL3660787 0.86 HRH4 (0.55) MMEACECPA1ACE2HRH4
SCHEMBL3658919 0.85 MME (0.54) PIN1MMEACECPA1ACE2

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 PIN1 4108/4885MME 570/4885ACE 3194/4885

“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.