SCHEMBL1966308

SCHEMBL1966308

COC(=O)CC1(OC)CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.38
TP53 P04637 1/20 0.35
TSHR P16473 3/20 0.34
AOC2 O75106 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TET2 Q6N021 1/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PABPC1 P11940 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL1965522 0.81 KDM4E (0.34) AOC2
SCHEMBL14351239 0.78 ANO1 (0.38) GLATP53TSHRCYP3A4CYP2C9
SCHEMBL3644810 0.77 GLA (0.38) GLATP53TSHRCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL7418374 0.76 GLA (0.37) GLATP53TSHRCYP3A4CYP2C9
SCHEMBL17916993 0.74 TSHR (0.43) GLATP53TSHRCYP3A4CYP2C9
SCHEMBL15461400 0.74 TSHR (0.35) TSHRAOC2CYP3A4CYP2C9PKM
SCHEMBL14748256 0.73 NPSR1 (0.50) ALDH1A1
Hydrochloric Acid SCHEMBL25210568 0.73 LMNA (0.42) GLATP53TSHRCYP3A4CYP2C9
SCHEMBL13980758 0.73 GLA (0.35) GLATP53TSHRCYP3A4CYP2C9
SCHEMBL1439821 0.73 AOC2 (0.35) AOC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334657-B1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2013-03-06 EP disclosed
EP-2334657-A1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS F. Hoffmann-La Roche AG (CH) 2011-06-22 EP disclosed
US-7858630-B2 D3 and 5-HT2A receptor modulators HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-20100075983-A1 D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN-LA ROCHE, INC. 2010-03-25 US disclosed
WO-2010031735-A1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 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-20100075983-A1 D3 AND 5-HT2A RECEPTOR MODULATORS HTR2A, HTR3A, HTR1A GLA 1805/4885TP53 3386/4885TSHR 162/4885

“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.