SCHEMBL4136001

SCHEMBL4136001

CCCCCCCCC(C)(C)CCCCCCCCCOCC(O)CNC(C)(CO)CO

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.51
HTT P42858 3/20 0.47
CASR P41180 2/20 0.44
LPAR5 Q9H1C0 1/20 0.42
PLA2G2C Q5R387 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SPHK1 Q9NYA1 1/20 0.38
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL11596086 0.93 USP2 (0.58) USP2HTTCASRLPAR5PLA2G2C
SCHEMBL5530973 0.93 USP2 (0.58) USP2HTTCASRLPAR5PLA2G2C
SCHEMBL4135996 0.90 USP2 (0.51) USP2HTTCASRLPAR5PLA2G2C
SCHEMBL15422990 0.88 USP2 (0.55) USP2HTTCASRLPAR5PLA2G2C
SCHEMBL11575286 0.86 USP2 (0.50) USP2HTTCASRLPAR5PLA2G2C
SCHEMBL11575291 0.86 USP2 (0.50) USP2HTTCASRLPAR5PLA2G2C
SCHEMBL4794303 0.82 USP2 (0.58) USP2HTTCASRLPAR5PLA2G2C
SCHEMBL4145616 0.82 USP2 (0.51) USP2HTTCASRLPAR5PLA2G2C
SCHEMBL23615821 0.79 USP2 (0.57) USP2HTTCASRLPAR5PLA2G2C
SCHEMBL4148593 0.79 USP2 (0.48) USP2HTTCASRLPAR5PLA2G2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372207-A1 CARBONATED AEROSOL EXTERNAL PREPARATION FOR SKIN KAO CORPORATION (JP) 2023-11-23 US disclosed
US-20230372207-A1 CARBONATED AEROSOL EXTERNAL PREPARATION FOR SKIN KAO CORPORATION (JP) 2023-11-23 US disclosed
US-8647649-B2 Emulsified composition KAO CORPORATION (JP) 2014-02-11 US disclosed
US-8647649-B2 Emulsified composition KAO CORPORATION (JP) 2014-02-11 US disclosed
US-20120108661-A1 EMULSIFIED COMPOSITION KAO CORPORATION (JP) 2012-05-03 US disclosed
US-20120108661-A1 EMULSIFIED COMPOSITION KAO CORPORATION (JP) 2012-05-03 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 (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-20230372207-A1 CARBONATED AEROSOL EXTERNAL PREPARATION FOR SKIN CERT1, CERS2, SGMS2 USP2 3911/4885HTT 4875/4885CASR 157/4885
US-20120108661-A1 EMULSIFIED COMPOSITION CERT1, S1PR4, S1PR3 USP2 2857/4885HTT 1300/4885CASR 4731/4885

“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.