SCHEMBL13531007

SCHEMBL13531007

CCC(CC)c1cccc(CN2CCOCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.57
ALDH1A1 P00352 2/20 0.52
HTT P42858 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
NOS1 P29475 1/20 0.52
HRH3 Q9Y5N1 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 1/20 0.44
PSMB8 P28062 1/20 0.44
CXCR4 P61073 1/20 0.44
BRD4 O60885 1/20 0.43
CYP2A13 Q16696 1/20 0.43
PDE4B Q07343 1/20 0.43

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
SCHEMBL10142734 0.87 NCF1 (0.56) NCF1ALDH1A1HTTKDM4EHPGD
SCHEMBL104514 0.85 NCF1 (0.60) NCF1ALDH1A1HTTKDM4EHPGD
SCHEMBL12646166 0.81 HRH3 (0.61) ALDH1A1HTTHPGDNOS1HRH3
SCHEMBL11196105 0.81 NCF1 (0.83) NCF1ALDH1A1HTTKDM4EHPGD
SCHEMBL10235392 0.80 NCF1 (0.71) NCF1ALDH1A1HTTKDM4EHPGD
SCHEMBL28139390 0.79 NCF1 (0.57) NCF1ALDH1A1HTTKDM4EHPGD
SCHEMBL11365429 0.78 NCF1 (0.60) NCF1ALDH1A1HTTKDM4EHPGD
SCHEMBL26378172 0.77 NCF1 (0.55) NCF1ALDH1A1HTTKDM4EHPGD
SCHEMBL10244180 0.77 NCF1 (0.67) NCF1ALDH1A1HTTKDM4EHPGD
SCHEMBL178443 0.76 NCF1 (0.66) NCF1ALDH1A1HTTKDM4EHPGD

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-10695361-B2 Methods for treating arenaviridae and coronaviridae virus infections GILEAD SCIENCES, INC. (US) 2020-06-30 US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-7432273-B2 Phosphonate analogs of antimetabolites GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-20070027114-A1 Phosphonate analogs of antimetabolites GILEAD SCIENCES INC. 2007-02-01 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 (3 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-10695361-B2 Methods for treating arenaviridae and coronaviridae virus infections ACE, PNP, ACE2 NCF1 603/4885ALDH1A1 1311/4885HTT 4223/4885
US-20070027114-A1 Phosphonate analogs of antimetabolites TYMP, PHOSPHO1, PHPT1 NCF1 802/4885ALDH1A1 3847/4885HTT 3061/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN NCF1 776/4885ALDH1A1 3678/4885HTT 4035/4885

“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.