SCHEMBL542293

SCHEMBL542293

CC(C)C1(c2ccc3c(c2)OCCO3)NC(=O)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.39
MAPT P10636 1/20 0.39
AKR1A1 P14550 1/20 0.39
AKR1B1 P15121 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GSK3B P49841 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
SCHEMBL103407 0.78 LMNA (0.50) AKR1B10MAPTAKR1A1AKR1B1LMNA
SCHEMBL542638 0.75 AKR1B10 (0.39) AKR1B10MAPTAKR1A1AKR1B1LMNA
SCHEMBL542424 0.75 POLB (0.40) AKR1B10MAPTAKR1A1AKR1B1LMNA
SCHEMBL543048 0.73 LMNA (0.48) AKR1B10MAPTAKR1A1AKR1B1LMNA
SCHEMBL542461 0.73 AKR1B10 (0.40) AKR1B10MAPTAKR1A1AKR1B1LMNA
SCHEMBL20134752 0.72 ADAM17 (0.45) MAPTAKR1B1GAA
SCHEMBL4232196 0.72 CYP2C9 (0.55) MAPTAKR1B1GAA
SCHEMBL20134891 0.71 MMP14 (0.40) AKR1B10MAPTAKR1A1AKR1B1GAA
SCHEMBL102280 0.70 LMNA (0.50) MAPTAKR1B1LMNAKDM4EGAA
SCHEMBL20134833 0.69 CYP2C9 (0.41) MAPTAKR1B1LMNAGAA

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-8168666-B2 Substituted carbinol compound KOWA COMPANY, LTD. (JP) 2012-05-01 US disclosed
EP-2098515-B1 SUBSTITUTED CARBINOL COMPOUND KOWA CO (JP) 2012-02-08 EP disclosed
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND KOWA COMPANY, LTD. (JP) 2010-03-11 US disclosed
EP-2098515-A1 SUBSTITUTED CARBINOL COMPOUND Kowa Company. Ltd. (JP) 2009-09-09 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 (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-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND NR1H2, NR1H3, CYP46A1 AKR1B10 496/4885MAPT 1116/4885AKR1A1 392/4885

“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.