SCHEMBL14219786

SCHEMBL14219786

COc1cc(/C=C\C(=O)CC(=O)/C=C\c2ccc(OC(=O)CCCC(=O)NCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])c(OC)c2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 6/20 0.51
▸ ALOX5 P09917 2/20 0.51
▸ APP P05067 7/20 0.48
▸ MAPT P10636 5/20 0.48
▸ BACE1 P56817 3/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ ABCB1 P08183 2/20 0.48
▸ AKR1B1 P15121 2/20 0.48
▸ MAOA P21397 2/20 0.48
▸ MAOB P27338 2/20 0.48
▸ PTGES O14684 2/20 0.48
▸ TYR P14679 2/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ CA12 O43570 1/20 0.48

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
SCHEMBL15107045 0.99 TOP2A (0.52) TOP2AALOX5APPMAPTBACE1
SCHEMBL15371640 0.93 MMP9 (0.51) TOP2AALOX5APPMAPTBACE1
SCHEMBL15371647 0.93 MMP9 (0.51) TOP2AALOX5APPMAPTBACE1
SCHEMBL13125809 0.89 TOP2A (0.59) TOP2AALOX5APPMAPTBACE1
SCHEMBL14219883 0.79 TUBB4A (0.46) TOP2AALOX5APPMAPTBACE1
SCHEMBL16310168 0.79 APP (0.46) TOP2AALOX5APPMAPTBACE1
SCHEMBL12261878 0.77 TOP2A (0.69) TOP2AALOX5APPMAPTBACE1
SCHEMBL12336320 0.77 TOP2A (0.69) TOP2AALOX5APPMAPTBACE1
SCHEMBL13827364 0.76 MAPT (0.49) TOP2AALOX5APPMAPTBACE1
SCHEMBL22493386 0.75 TOP2A (0.89) TOP2AALOX5APPMAPTBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447023-B2 Curcumin and tetrahydrocurcumin derivatives RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2016-09-20 — — US disclosed
EP-2813145-A1 Novel curcumin and tetrahydrocurcumin derivatives Research Foundation Of The City University Of New York (US) 2014-12-17 — — EP disclosed
US-20130296527-A1 Novel Curcumin and Tetrahydrocurcumin Derivatives RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2013-11-07 — — US disclosed
US-8487139-B2 Curcumin and tetrahydrocurcumin derivatives THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2013-07-16 — — US disclosed
US-8487139-B2 Curcumin and tetrahydrocurcumin derivatives THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2013-07-16 — — US disclosed
US-20100240905-A1 Novel Curcumin and Tetrahydrocurcumin Derivatives RESEARCH FOUNDATION OF CITY UNIVERSITY OF NEW YORK (US) 2010-09-23 — — US disclosed
US-20100240905-A1 Novel Curcumin and Tetrahydrocurcumin Derivatives RESEARCH FOUNDATION OF CITY UNIVERSITY OF NEW YORK (US) 2010-09-23 — — US disclosed
WO-2008045534-A2 NOVEL CURCUMIN AND TETRAHYDROCURCUMIN DERIVATIVES RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2008-04-17 — — 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 (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-20100240905-A1 Novel Curcumin and Tetrahydrocurcumin Derivatives BHMT2, HMOX1, DEPTOR TOP2A 1586/4885ALOX5 1224/4885APP 694/4885
US-20130296527-A1 Novel Curcumin and Tetrahydrocurcumin Derivatives BHMT2, HMOX1, DEPTOR TOP2A 1586/4885ALOX5 1224/4885APP 694/4885

“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.

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