SCHEMBL396870

SCHEMBL396870

O=Cc1ccc(-c2ccc(-c3ccc(C=O)o3)cc2)o1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.80
KDM4E B2RXH2 7/20 0.80
LMNA P02545 3/20 0.80
TDP1 Q9NUW8 2/20 0.71
CYP2E1 P05181 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2B6 P20813 1/20 0.58
CYP2C19 P33261 1/20 0.58
MAPT P10636 6/20 0.57
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
HSP90AA1 P07900 1/20 0.57
LDHA P00338 1/20 0.56
LDHB P07195 1/20 0.56
HAO1 Q9UJM8 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
STAT1 P42224 1/20 0.54
POLB P06746 4/20 0.53

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
SCHEMBL12177745 0.91 ALDH1A1 (0.69) ALDH1A1KDM4ELMNATDP1CYP2E1
SCHEMBL397009 0.89 KDM4E (0.67) ALDH1A1KDM4ELMNATDP1CYP2E1
SCHEMBL1143469 0.89 KDM4E (0.67) ALDH1A1KDM4ELMNATDP1CYP2E1
SCHEMBL2325829 0.89 KDM4E (1.00) ALDH1A1KDM4ELMNATDP1CYP2E1
SCHEMBL2318474 0.89 KDM4E (0.67) ALDH1A1KDM4ELMNATDP1CYP2E1
SCHEMBL398700 0.89 ALDH1A1 (0.67) ALDH1A1KDM4ELMNATDP1CYP2E1
SCHEMBL622653 0.89 KDM4E (0.66) ALDH1A1KDM4ELMNATDP1CYP2E1
SCHEMBL10092801 0.88 ALDH1A1 (0.65) ALDH1A1KDM4ELMNATDP1CYP2E1
SCHEMBL6656195 0.87 ALDH1A1 (0.61) ALDH1A1KDM4ELMNATDP1CYP2E1
SCHEMBL21357672 0.85 CYP3A4 (0.64) ALDH1A1KDM4ELMNATDP1CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188121-B2 Substituted pyridines as antiparasitic AZA teraryl compounds THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-05-29 US disclosed
US-8188121-B2 Substituted pyridines as antiparasitic AZA teraryl compounds THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-05-29 US disclosed
US-8101636-B2 Linear dicationic terphenyls and their aza analogues as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-24 US disclosed
US-8101636-B2 Linear dicationic terphenyls and their aza analogues as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-24 US disclosed
US-8101636-B2 Linear dicationic terphenyls and their aza analogues as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-24 US disclosed
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS TIDWELL RICHARD R 2011-10-20 US disclosed
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS TIDWELL RICHARD R 2011-10-20 US disclosed
US-7964619-B2 Teraryl components as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-06-21 US disclosed
US-7964619-B2 Teraryl components as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-06-21 US disclosed
US-7964619-B2 Teraryl components as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-06-21 US disclosed
CN-101270081-A Linear dicationic terphenyls and aza analogs thereof as antiparasitic agents UNIV GEORGIA STATE (US) 2008-09-24 CN disclosed
EP-1949896-A2 Linear dicationic terphenyls and their aza analogues as antiparasitic agents The University of North Carolina At Chapel Hill (US) 2008-07-30 EP disclosed
EP-1949896-A2 Linear dicationic terphenyls and their aza analogues as antiparasitic agents The University of North Carolina At Chapel Hill (US) 2008-07-30 EP disclosed
US-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2007-10-04 US disclosed
US-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2007-10-04 US disclosed
US-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2007-10-04 US disclosed
CN-1990477-A Linear dicationic terphenyls and their aza analogues as antiparasitic agents UNIV NORTH CAROLINA CHAPEL HILL (US) 2007-07-04 CN disclosed
US-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TIDWELL RICHARD R 2006-12-28 US disclosed
EP-1736466-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents The University of North Carolina at Chapel Hill (US) 2006-12-27 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 (3 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-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT ALDH1A1 2647/4885KDM4E 719/4885LMNA 4426/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS ALDH1A1 1910/4885KDM4E 1141/4885LMNA 4712/4885
US-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT ALDH1A1 2647/4885KDM4E 719/4885LMNA 4426/4885

“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.