SCHEMBL2936330

SCHEMBL2936330

CCCCCC(C)(C)c1cc2c(cc1O)OC(=O)CC2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.38
CNR1 P21554 14/20 0.37
NR1I2 O75469 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH2 P05091 1/20 0.35
ALDH3A1 P30838 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
SCHEMBL2936329 0.84 ALDH2 (0.38) ALDH2ALDH3A1
SCHEMBL11336865 0.78 CNR1 (0.39) CNR2CNR1
SCHEMBL2935573 0.75 MEN1 (0.43) ALDH2ALDH3A1
SCHEMBL2934963 0.75 TYR (0.41) CNR2CNR1ALDH2ALDH3A1
SCHEMBL126588 0.74 CNR1 (0.49) CNR2CNR1
SCHEMBL11222329 0.73 CNR1 (0.51) CNR2CNR1
SCHEMBL5693667 0.73 CNR1 (0.51) CNR2CNR1
SCHEMBL8861296 0.73 CNR1 (0.51) CNR2CNR1
SCHEMBL9335370 0.73 CNR1 (0.51) CNR2CNR1
SCHEMBL2934063 0.72 ALDH2 (0.43) CNR2ALDH2ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100291009-A1 PREPARATION COMPRISING CHROMAN-2-ONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-18 US disclosed
EP-2229169-A1 PREPARATION CONTAINING CHROMANE-2-ONE DERIVATIVES Merck Patent GmbH (DE) 2010-09-22 EP disclosed
WO-2009089880-A1 PREPARATION CONTAINING CHROMANE-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2009-07-23 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 (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-20100291009-A1 PREPARATION COMPRISING CHROMAN-2-ONE DERIVATIVES RCC1, RB1, RCC2 CNR2 623/4885CNR1 261/4885NR1I2 192/4885

“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.