SCHEMBL3662415

SCHEMBL3662415

O=C(O)c1cccc(C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.54
CTNNB1 P35222 1/20 0.53
MME P08473 3/20 0.53
ACE P12821 3/20 0.53
CPA1 P15085 1/20 0.53
ACE2 Q9BYF1 1/20 0.53
ERAP2 Q6P179 1/20 0.50
SENP2 Q9HC62 1/20 0.49
SENP1 Q9P0U3 1/20 0.49
GPR132 Q9UNW8 1/20 0.49
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
MMEL1 Q495T6 1/20 0.48
CCKBR P32239 1/20 0.48
PIN1 Q13526 1/20 0.47
UBASH3B Q8TF42 1/20 0.47
POLB P06746 1/20 0.46
MMP9 P14780 1/20 0.46
MEN1 O00255 1/20 0.46

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 0.91 CTNNB1 (0.60) HRH4CTNNB1MMEACECPA1
SCHEMBL8674187 0.91 CTNNB1 (0.60) HRH4CTNNB1MMEACECPA1
SCHEMBL3662835 0.91 CTNNB1 (0.60) HRH4CTNNB1MMEACECPA1
SCHEMBL3656657 0.90 HRH4 (0.54) HRH4CTNNB1MMEACECPA1
SCHEMBL3653685 0.90 HRH4 (0.56) HRH4CTNNB1MMEACECPA1
SCHEMBL3658919 0.88 MME (0.54) HRH4CTNNB1MMEACECPA1
SCHEMBL3661746 0.87 PIN1 (0.62) HRH4CTNNB1MMEACECPA1
SCHEMBL3660787 0.83 HRH4 (0.55) HRH4CTNNB1MMEACECPA1
SCHEMBL3659456 0.82 MME (0.56) HRH4CTNNB1MMEACECPA1
SCHEMBL4704798 0.82 HRH4 (0.54) HRH4CTNNB1MMEACECPA1

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 HRH4 2183/4885CTNNB1 4720/4885MME 3331/4885
US-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR HRH4 1664/4885CTNNB1 4820/4885MME 570/4885

“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.