SCHEMBL1315524

SCHEMBL1315524

CC(O)C(O)CNC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.42
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ANPEP P15144 1/20 0.32
DNPEP Q9ULA0 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MMP1 P03956 1/20 0.31
MMP8 P22894 1/20 0.31

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
SCHEMBL12521641 0.80
SCHEMBL31286067 0.80
SCHEMBL1318824 0.80
SCHEMBL23863 0.77
SCHEMBL23979001 0.76 BCAT2 (0.42) BCAT2CYP2D6CYP2C19MEN1KMT2A
SCHEMBL17030141 0.76
SCHEMBL16103419 0.75
SCHEMBL2451976 0.75
SCHEMBL10098454 0.75
SCHEMBL538750 0.74

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104780902-A Composition for external use ROHTO PHARMA 2015-07-15 CN disclosed
CN-102271653-B Hair cosmetic SHISEDO CO LTD 2014-01-29 CN disclosed
CN-102271653-A Hair cosmetic 2011-12-07 CN disclosed
EP-2387987-A1 HAIR COSMETIC Shiseido Co., Ltd. (JP) 2011-11-23 EP disclosed
US-20110274642-A1 Hair Cosmetic SHISEIDO COMPANY, LTD. (JP) 2011-11-10 US disclosed
US-20110255095-A1 Optical Coherence Tomography Imaging System and Method THORLABS, INC. (US) 2011-10-20 US disclosed
US-20080312304-A1 Topical compositions containing metronidazole ZHANG JERRY 2008-12-18 US disclosed
US-20080287514-A1 Topical compositions containing metronidazole ZHANG JERRY 2008-11-20 US disclosed
US-20080287515-A1 Aqueous compositions containing solubilized metronidazole at a concentration of 0.75% by weight or greater are obtained by using combination of solubility enhancing agents, one of which is niacinamide and the other is hydroxyalkyl urea; treatment of dermal and mucosal disorders, for example, rosacea ZHANG JERRY 2008-11-20 US disclosed
US-20080081052-A1 Topical compositions containing solubilized allantoin and related methods ZHANG JERRY 2008-04-03 US disclosed
US-20080057002-A1 Non-aqueous compositions containing urea and allantoin and methods for preparing same ZHANG JERRY 2008-03-06 US disclosed
US-20070172436-A1 Nonaqueous ascorbic acid compositions and methods for preparing same ZHANG JERRY 2007-07-26 US 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-20110274642-A1 Hair Cosmetic H1-0, H1-5, SHH BCAT2 1905/4885CYP2D6 3904/4885CYP2C19 4169/4885

“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.