SCHEMBL10240915

SCHEMBL10240915

CC(C)(C)OC(=O)[C@@H]1CC12CCC(c1ccc(C(=O)O)cc1)CC2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
RXRA P19793 2/20 0.34
RXRB P28702 1/20 0.34
MAPT P10636 1/20 0.34
NPC1L1 Q9UHC9 3/20 0.34
P2RY14 Q15391 1/20 0.34
PDE5A O76074 5/20 0.34
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
CYP2C9 P11712 1/20 0.33
JAK2 O60674 1/20 0.33
SYK P43405 1/20 0.33
NAMPT P43490 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL601315 1.00 ALDH1A1 (0.36) ALDH1A1RXRARXRBMAPTNPC1L1
SCHEMBL601880 0.85 RAB9A (0.39) ALDH1A1MAPTCYP2C9
SCHEMBL13255509 0.85 RAB9A (0.39) ALDH1A1MAPTCYP2C9
SCHEMBL3669960 0.81 JAK2 (0.44) JAK2SYKMRGPRX4
SCHEMBL600832 0.79 NPC1 (0.42) ALDH1A1MAPTP2RY14PDE5ACYP2C9
SCHEMBL10188595 0.79 NPC1 (0.42) ALDH1A1MAPTP2RY14PDE5ACYP2C9
SCHEMBL602434 0.75 DGAT1 (0.61)
SCHEMBL10188561 0.72 PDE5A (0.38) ALDH1A1MAPTP2RY14PDE5ACYP2C9
SCHEMBL601842 0.72 PDE5A (0.38) ALDH1A1MAPTP2RY14PDE5ACYP2C9
SCHEMBL601843 0.72 PDE5A (0.38) ALDH1A1MAPTP2RY14PDE5ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 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-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF OXA1L, CYP11B2, CYP11B1 ALDH1A1 126/4885RXRA 4149/4885RXRB 3892/4885

“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.