SCHEMBL4025191

SCHEMBL4025191

COc1cccc([Mg]Br)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA4 P22748 1/20 0.42
NFE2L2 Q16236 5/20 0.41
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL27677995 0.82 SMN1; SMN2 (0.52) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL15140009 0.81 CYP1A1 (0.37) SMN1; SMN2KDM4EMAPTALDH1A1CYP3A4
SCHEMBL29375470 0.80 CA1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL162625 0.80 CA1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL7105911 0.79 CA1 (0.42) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL15271433 0.78 KMT2A (0.35) SMN1; SMN2NFE2L2MAPK1KDM4EALDH1A1
Bromomethane SCHEMBL27848237 0.77 SMN1; SMN2 (0.56) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL25434306 0.77 CA1 (0.61) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL151213 0.77 CA1 (0.61) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL27753904 0.77 CA1 (0.61) SMN1; SMN2CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031759-A1 Analogues of (-)Picropodophyllin, Synthesis And Uses Thereof UNIVERSITY OF NEBRASKA - LINCOLN 2015-01-29 US disclosed
US-8859614-B2 Analogues of (−)-picropodophyllin, synthesis and uses thereof University of Nebraska—Lincoln (US) 2014-10-14 US disclosed
US-20090271879-A1 ANALOGUES OF (-)-PICROPODOPHYLLIN, SYNTHESIS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2009-10-29 US disclosed
WO-2009100349-A1 ANALOGUES OF (-)-PICROPODOPHYLLIN, SYNTHESIS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-08-13 WO disclosed
EP-0624584-B1 Piperazine derivatives useful as calmodulin inhibitors DAIICHI SEIYAKU CO (JP) 1998-08-19 EP disclosed
US-5681954-A HAS CALMODULIN INHIBITORY ACTIVITY; USEFUL IN TREATING DISEASES OF THE CIRCULATORY ORGANS OR IN CEREBRAL REGION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-28 US disclosed
EP-0624584-A1 Piperazine derivatives useful as calmodolin inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-11-17 EP 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-20150031759-A1 Analogues of (-)Picropodophyllin, Synthesis And Uses Thereof PPOX, HCCS, DHPS SMN1; SMN2 4538/4885CA12 4126/4885CA1 4193/4885
US-20090271879-A1 ANALOGUES OF (-)-PICROPODOPHYLLIN, SYNTHESIS AND USES THEREOF PPOX, HCCS, DHPS SMN1; SMN2 4480/4885CA12 4118/4885CA1 4149/4885

“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.