SCHEMBL3072970

SCHEMBL3072970

CC1(C)CCC(=O)C(O)C1.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN1 P18031 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL27777564 0.98 CYP3A4 (0.39) CYP3A4MEN1ALDH1A1KMT2APTPN1
SCHEMBL569284 0.75
SCHEMBL20100996 0.73 CYP3A4 (0.41) CYP3A4KMT2AMAPT
SCHEMBL2691037 0.73 CYP3A4 (0.41) CYP3A4KMT2AMAPT
SCHEMBL1397843 0.71 MAPT (0.32) CYP3A4MAPT
SCHEMBL3432699 0.71 MAPT (0.32) CYP3A4MAPT
SCHEMBL1743456 0.71 APLNR (0.40) ALDH1A1MAPT
SCHEMBL1132822 0.71 TLR4 (0.32) ALDH1A1MAPT
SCHEMBL7752634 0.70 CYP3A4 (0.32) CYP3A4MAPT
SCHEMBL16516842 0.68 APLNR (0.33) ALDH1A1MAPT

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
EP-2152686-B1 HYDROXY SULFONATE OF QUINONE COMPOUNDS AND THEIR USES ARQULE INC (US) 2014-12-17 EP disclosed
US-7790765-B2 Hydroxy sulfonate of quinone compounds and their uses ARQULE, INC. (US) 2010-09-07 US disclosed
US-20090028952-A1 Hydroxy sulfonate of quinone compounds and their uses ARQULE, INC. 2009-01-29 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-20090028952-A1 Hydroxy sulfonate of quinone compounds and their uses SQOR, SULT1E1, NQO1 CYP3A4 293/4885MEN1 2314/4885ALDH1A1 180/4885

“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.