SCHEMBL3819781

SCHEMBL3819781

C=CCOc1cc(OCC=C)nc(OCC=C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA9 Q16790 5/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
FGFR1 P11362 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK1 P28482 1/20 0.35
MAOA P21397 1/20 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
SCHEMBL3818350 0.81 MAPT (0.47) MAPTCA12CA1CA9MEN1
SCHEMBL3822061 0.78 MAPT (0.46) MAPTCA12CA1CA9MEN1
SCHEMBL3823066 0.78 MAOA (0.44) MAPTCA12CA1CA9MEN1
SCHEMBL9813317 0.77 CA12 (0.44) MAPTCA12CA1CA9MEN1
SCHEMBL31361237 0.77 CA12 (0.40) MAPTCA12CA1CA9MEN1
SCHEMBL11476584 0.76 MAPT (0.38) MAPTCA12CA1CA9MEN1
SCHEMBL12076324 0.76 MAPT (0.44) MAPTSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL3816226 0.76 MAPT (0.43) MAPTCA12CA1CA9MEN1
SCHEMBL3825460 0.73 CA12 (0.64) MAPTCA12CA1CA9MEN1
SCHEMBL9091665 0.72 F2 (0.44) MAPTCA12CA1CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1298115-B1 PROCESS FOR THE PREPARATION OF POLYHYDRIC ALCOHOLS NAT INST OF ADVANCED IND SCIEN (JP) 2009-08-26 EP disclosed
US-6656328-B2 Subjecting a polyhydric alcohol compound having protected hydroxy group(s) to microwave irradiation in presence of basic compound or acid to deprotect the protecting groups of hydroxy group of polyhydric alcohol compound NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2003-12-02 US disclosed
EP-1298115-A1 PROCESS FOR THE PREPARATION OF POLYHYDRIC ALCOHOLS National Institute of Advanced Industrial Science and Technology (JP) 2003-04-02 EP disclosed
US-20020157939-A1 Process for preparation of polyhydric alcohols NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2002-10-31 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-20020157939-A1 Process for preparation of polyhydric alcohols ADH1C, ADH1A, ADH5 MAPT 3759/4885CA12 512/4885CA1 195/4885

“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.