SCHEMBL4033339

SCHEMBL4033339

O=CNCCn1cccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
ADH1B P00325 4/20 0.39
ADH1A P07327 4/20 0.39
ADH7 P40394 4/20 0.39
ADH1C P00326 3/20 0.36
EPHX1 P07099 1/20 0.34
ADH4 P08319 1/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL10063617 0.86 ADH1B (0.43) TP53ADH1BADH1AADH7ADH1C
SCHEMBL28917637 0.76 TP53 (0.42) TP53HPGDALDH1A1TSHRHSD17B10
SCHEMBL4470088 0.74 TBXAS1 (0.52) ALDH1A1HSD17B10
SCHEMBL4042725 0.73 DAO (0.38) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL21987085 0.72
SCHEMBL7717133 0.68 HIF1A (0.43) TP53TSHR
SCHEMBL11483792 0.68 CYP2C19 (0.38) TP53HPGDALDH1A1TSHR
SCHEMBL17733804 0.67
SCHEMBL1680682 0.67
SCHEMBL4033337 0.67 TP53 (0.39) TP53HPGDALDH1A1TSHRHSD17B10

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-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 US disclosed
WO-2009022171-A1 PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 WO disclosed
US-6140338-A FOR TREATING ACUTE INFLAMMATORY DISEASES, CHRONIC INFLAMMATORY DISEASES, ACQUIRED IMMUNE DEFICIENCY SYNDROME, CANCER, ISCHEMIC REFLOW DISORDER AND/OR ARTERIOSCLEROSIS BANYU PHARMACEUTICAL, CO., LTD. (JP) 2000-10-31 US disclosed
EP-0916668-A1 CHEMOKINE RECEPTOR ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-05-19 EP disclosed
US-4188389-A 1,2,3,4-Tetrahydropyrrolo(1,2-A)pyrazines AYERST MCKENNA & HARRISON, INC. (CA) 1980-02-12 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-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 TP53 349/4885ADH1B 3772/4885ADH1A 1808/4885

“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.