SCHEMBL20051410

SCHEMBL20051410

CC1(C)Oc2ccc(CNC(N)=O)cc2O1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 4/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
ROCK2 O75116 1/20 0.40
KIF11 P52732 1/20 0.40

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
SCHEMBL20051409 0.76 CYP2C9 (0.46) CYP2C9CYP2C19SMN1; SMN2HPGDALDH1A1
SCHEMBL7153462 0.76 ALOX15 (0.51) CYP2C9CYP2C19ALOX15ALOX12SMN1; SMN2
SCHEMBL7322125 0.75 SMN1; SMN2 (0.68) ALOX12SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL18375516 0.75 ALOX15 (0.55) CYP2C9CYP2C19ALOX15ALOX12SMN1; SMN2
SCHEMBL20369609 0.75 ALOX15 (0.55) CYP2C9CYP2C19ALOX15ALOX12SMN1; SMN2
SCHEMBL12367132 0.74 ALOX15 (0.50) CYP2C9CYP2C19ALOX15ALOX12SMN1; SMN2
SCHEMBL31490121 0.74 ALDH1A1 (0.49) CYP2C9CYP2C19ALOX15ALOX12SMN1; SMN2
SCHEMBL9975498 0.74 ALDH1A1 (0.49) CYP2C9CYP2C19ALOX15ALOX12SMN1; SMN2
SCHEMBL25084169 0.73 ALOX15 (0.55) CYP2C9CYP2C19ALOX15ALOX12SMN1; SMN2
SCHEMBL4014702 0.73 ALOX15 (0.51) CYP2C9CYP2C19ALOX15ALOX12SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11234914-B2 Monosubstituted urea derivatives as a self-tanning substance MERCK PATENT GMBH (DE) 2022-02-01 US disclosed
EP-3522993-B1 MONOSUBSTITUTED UREA DERIVATIVES AS A SELF-TANNING SUBSTANCE MERCK PATENT GMBH (DE) 2021-04-07 EP disclosed
US-20200038304-A1 MONOSUBSTITUTED UREA DERIVATIVES AS A SELF-TANNING SUBSTANCE MERCK PATENT GMBH (DE) 2020-02-06 US disclosed
WO-2018065358-A1 MONOSUBSTITUTED UREA DERIVATIVES AS A SELF-TANNING SUBSTANCE MERCK PATENT GMBH (DE) 2018-04-12 WO 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-11234914-B2 Monosubstituted urea derivatives as a self-tanning substance SLC14A1, TYR, UROD CYP2C9 952/4885CYP2C19 456/4885ALOX15 3037/4885
US-20200038304-A1 MONOSUBSTITUTED UREA DERIVATIVES AS A SELF-TANNING SUBSTANCE SLC14A1, TYR, UROD CYP2C9 952/4885CYP2C19 456/4885ALOX15 3037/4885

“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.