SCHEMBL8306310

SCHEMBL8306310

OCCCNCCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 2/20 0.53
PAOX Q6QHF9 1/20 0.51
HPGD P15428 1/20 0.49
DUSP3 P51452 1/20 0.49
KDM1A O60341 2/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ACE2 Q9BYF1 1/20 0.45
KEAP1 Q14145 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 2/20 0.42

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
SCHEMBL18024051 0.92 PAOX (0.59) ALDH1A1KDM4EPAOXHPGDDUSP3
SCHEMBL535923 0.88 ALDH1A1 (0.57) ALDH1A1KDM4EPAOXHPGDDUSP3
SCHEMBL8790259 0.87 PAOX (0.62) ALDH1A1KDM4EPAOXHPGDDUSP3
SCHEMBL13187875 0.86 ALDH1A1 (0.55) ALDH1A1KDM4EPAOXHPGDDUSP3
SCHEMBL4401738 0.85 CA12 (0.53) ALDH1A1KDM4EPAOXHPGDDUSP3
SCHEMBL3522931 0.85 PAOX (0.59) ALDH1A1KDM4EPAOXHPGDDUSP3
SCHEMBL16676932 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EPAOXHPGDDUSP3
SCHEMBL27077592 0.82 ACE2 (0.56) ALDH1A1KDM4EPAOXDUSP3KDM1A
SCHEMBL8310201 0.82 ACE2 (0.50) ALDH1A1KDM1ACA12CA1CA2
SCHEMBL721355 0.81 PAOX (0.64) ALDH1A1KDM4EPAOXHPGDDUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016130968-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR YALE UNIVERSITY (US) 2016-08-18 WO disclosed
US-7605272-B2 IGF-1R inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-10-20 US disclosed
US-20090054508-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO disclosed
EP-0517877-A1 NOVEL 3(2H)-PYRIDAZINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1992-12-16 EP disclosed
WO-1992012137-A1 NOVEL 3(2H)-PYRIDAZINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1992-07-23 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-20090054508-A1 IGF-1R INHIBITOR IGF1R, IGFBP5, IGFBP1 ALDH1A1 1250/4885KDM4E 1251/4885PAOX 2998/4885

“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.