SCHEMBL3432057

SCHEMBL3432057

Cc1cc(CNCCCO)no1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
EGFR P00533 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PDE10A Q9Y233 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
MAPT P10636 2/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 2/20 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
SCHEMBL3432055 0.83 EPHX2 (0.42) EPHX2KDM4EPOLBALDH1A1EGFR
SCHEMBL10864286 0.83 EPHX2 (0.40) EPHX2ALDH1A1EGFRGAANPC1
SCHEMBL6391920 0.77 PPARA (0.40) EPHX2ALDH1A1EGFRGAANPC1
SCHEMBL2259618 0.77 EPHX2 (0.43) EPHX2POLBALDH1A1EGFRGAA
SCHEMBL16269138 0.77 TERT (0.41) EPHX2ALDH1A1EGFRGAAPDE10A
SCHEMBL9666337 0.75 PPARA (0.42) EPHX2ALDH1A1EGFRGAAADORA2A
SCHEMBL11315544 0.74 KDM4E (0.40) EPHX2KDM4EALDH1A1EGFRGAA
SCHEMBL4156491 0.72
SCHEMBL12825220 0.72
SCHEMBL22593293 0.72

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
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed
US-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 US disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 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-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 EPHX2 3994/4885KDM4E 3366/4885POLB 149/4885

“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.