SCHEMBL625363

SCHEMBL625363

Oc1ccccc1-c1cc2ccccc2nc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 6/20 0.49
GLA P06280 2/20 0.49
HPGD P15428 5/20 0.48
GAA P10253 2/20 0.48
STAT3 P40763 1/20 0.48
MAPT P10636 5/20 0.46
ACHE P22303 2/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
F7 P08709 1/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MEN1 O00255 3/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41

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
SCHEMBL27790153 0.81 KDM4E (0.54) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL5258959 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL4602438 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL209889 0.77 ALDH1A1 (0.63) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL38652592 0.77 ALDH1A1 (0.63) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL7159163 0.77 ALDH1A1 (0.63) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL29195155 0.76 AR (0.53) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL30833158 0.76 AR (0.53) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL28953683 0.76 ALDH1A1 (0.49) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL16990165 0.75 ALDH1A1 (0.61) ALDH1A1KDM4EGLAHPGDGAA

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-9199924-B2 Process for the preparation of urethanes BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US disclosed
EP-2603319-B1 PROCESS FOR THE PREPARATION OF URETHANS BAYER IP GMBH (DE) 2014-10-22 EP disclosed
US-20130303740-A1 METHOD FOR PRODUCING URETHANES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-14 US disclosed
EP-2603319-A1 METHOD FOR PRODUCING URETHANES Bayer Intellectual Property GmbH (DE) 2013-06-19 EP disclosed
WO-2012020028-A1 METHOD FOR PRODUCING URETHANES BAYER MATERIALSCIENCE AG (DE) 2012-02-16 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-20130303740-A1 METHOD FOR PRODUCING URETHANES SOD1, AOC2, DUOX2 ALDH1A1 2086/4885KDM4E 690/4885GLA 1697/4885

“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.