SCHEMBL4034937

SCHEMBL4034937

OCCN1CCCCC1O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGL P35573 1/20 0.36
GAA P10253 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
GBA1 P04062 2/20 0.35
MGAM O43451 1/20 0.35
LCT P09848 1/20 0.35
SI P14410 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
HTT P42858 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
TERT O14746 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
SCHEMBL1359813 0.93
SCHEMBL17953635 0.93
SCHEMBL8014534 0.81
SCHEMBL1360772 0.80 OPRD1 (0.36) GBA1
SCHEMBL1219882 0.80
SCHEMBL27675556 0.80 GBA1 (0.43) GAAGBA1
SCHEMBL17143175 0.80 ALOX15 (0.33)
Hydrochloric Acid SCHEMBL27833501 0.78 KDM4E (0.33)
SCHEMBL4229106 0.77 GBA2 (0.46) AGLGAAGBA1MGAMSI
SCHEMBL4085257 0.76 CXCR4 (0.46)

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-1444210-B1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 US disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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 (2 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-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 AGL 4818/4885GAA 3188/4885TDP1 2237/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 AGL 4402/4885GAA 2206/4885TDP1 2562/4885

“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.