SCHEMBL9860607

SCHEMBL9860607

COC(OC)c1cc2c(cc1Br)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
GAA P10253 4/20 0.47
MAPT P10636 3/20 0.47
PKM P14618 1/20 0.39
GLA P06280 2/20 0.39
ALOX15 P16050 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 4/20 0.37
KDM4E B2RXH2 3/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
LMNA P02545 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
SCHEMBL10483567 0.80 ALDH1A1 (0.43) ALDH1A1GAAMAPTPKMGLA
SCHEMBL3464366 0.79 ALDH1A1 (0.50) ALDH1A1GAAMAPTPKMGLA
SCHEMBL4193348 0.76 CYP3A4 (0.40) ALOX15CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL11095079 0.75 ALDH1A1 (0.46) ALDH1A1GAAMAPTPKMGLA
SCHEMBL500009 0.72 APLNR (0.32)
SCHEMBL31039446 0.72 APLNR (0.32)
SCHEMBL1751672 0.72 AHR (0.53) ALDH1A1GAAMAPTPKMCYP3A4
SCHEMBL11384732 0.71 ALDH1A1 (0.44) ALDH1A1GAAMAPTPKMGLA
SCHEMBL5997064 0.71 LMNA (0.55) ALDH1A1MAPTPKMHPGDPOLB
SCHEMBL11862920 0.69 P4HB (0.45) ALDH1A1GAAMAPTGLACYP3A4

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 11 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-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-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
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
US-5070103-A ANTILIPEMIC AGENTS, ARTERIOSCLEROSIS TANABE SEIYAKU CO., LTD. (JP) 1991-12-03 US disclosed
EP-0188248-B1 NAPHTHALENE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME TANABE SEIYAKU CO., LTD. (JP) 1990-07-11 EP disclosed
US-4897418-A ANTILIPEMIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1990-01-30 US disclosed
US-4771072-A HYPOLIPIDEMIC ACTIVITY TANABE SEIYAKU CO., LTD. (JP) 1988-09-13 US disclosed
EP-0188248-A2 Naphthalene derivatives, process for the preparation thereof and pharmaceutical composition containing same TANABE SEIYAKU CO., LTD. (JP) 1986-07-23 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 ALDH1A1 2192/4885GAA 1960/4885MAPT 4393/4885
US-20090271879-A1 ANALOGUES OF (-)-PICROPODOPHYLLIN, SYNTHESIS AND USES THEREOF PPOX, HCCS, DHPS ALDH1A1 2006/4885GAA 2025/4885MAPT 4344/4885

“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.