SCHEMBL4653549

SCHEMBL4653549

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.67
ACE P12821 5/20 0.67
CPA1 P15085 4/20 0.67
ACE2 Q9BYF1 4/20 0.67
HRH4 Q9H3N8 1/20 0.61
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MMP9 P14780 4/20 0.49
MMP8 P22894 3/20 0.49
MMP2 P08253 3/20 0.49
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
MMP14 P50281 1/20 0.47
TSHR P16473 1/20 0.46
MMP3 P08254 1/20 0.46
OPRM1 P35372 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
SCHEMBL3662472 0.88 HRH4 (0.67) MMEACECPA1ACE2HRH4
SCHEMBL3659333 0.87 ACE (0.68) MMEACECPA1ACE2HRH4
SCHEMBL7290280 0.86 MME (0.64) MMEACECPA1ACE2HRH4
SCHEMBL10867305 0.84 HRH4 (0.56) MMEACECPA1ACE2HRH4
SCHEMBL10867308 0.84 HRH4 (0.56) MMEACECPA1ACE2HRH4
SCHEMBL5966735 0.83 MME (0.64) MMEACECPA1ACE2MMP2
SCHEMBL4242808 0.83 MME (0.64) MMEACECPA1ACE2MMP2
SCHEMBL4609913 0.82 MMP9 (0.67) ACEMMP9MMP8MMP2MMP3
SCHEMBL3658077 0.82 ACE (0.67) MMEACECPA1ACE2HRH4
SCHEMBL7278135 0.81 HRH4 (0.53) MMEACECPA1ACE2HRH4

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