SCHEMBL5820577

SCHEMBL5820577

C#CCC(CC=C)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PKM P14618 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.30
CYP4F2 P78329 2/20 0.30
CYP4A11 Q02928 2/20 0.30
THRB P10828 1/20 0.30
TSHR P16473 2/20 0.30

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
SCHEMBL17816562 0.94 MEN1 (0.37) MEN1KMT2A
SCHEMBL379262 0.84 MEN1 (0.50) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL283884 0.84 MEN1 (0.46) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL27893535 0.83 CYP2C19 (0.33) ALDH1A1LMNACYP2C19
SCHEMBL24425864 0.82 MEN1 (0.40) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL13622365 0.82 MEN1 (0.40) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL24425847 0.82 MEN1 (0.40) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL13108973 0.81 MEN1 (0.39) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL3519692 0.80 MEN1 (0.43) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL1026954 0.79 MEN1 (0.46) MEN1KMT2AALDH1A1LMNACYP1A2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006117800-A2 NOVEL 3, 4-PROPYLENEDIOXYTHIOPHENE DERIVATIVES WITH PENDANT FUNCTIONAL GROUPS INDIAN INSTITUTE OF TECHNOLOGY BOMBAY (IN) 2006-11-09 WO claimed
US-20220219155-A1 Compositions And Methods For Visible-Light-Controlled Ruthenium-Catalyzed Olefin Metathesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2022-07-14 US disclosed
US-11331656-B2 Compositions and methods for visible-light-controlled ruthenium-catalyzed olefin metathesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-05-17 US disclosed
EP-3789377-A1 A CATALYTICALLY CONTINUOUS FLOW PAUSON-KHAND REACTION WITHOUT CARBON MONOXIDE GAS Fundación Universitaria San Pablo-Ceu (ES) 2021-03-10 EP disclosed
CN-105517574-B The combination product of hepatitis C virus inhibitors 百时美施贵宝公司 2019-01-18 CN disclosed
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
WO-2015005901-A1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 WO disclosed
EP-2802326-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2014-11-19 EP disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
WO-2013106520-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 WO disclosed
WO-2006117800-A2 NOVEL 3, 4-PROPYLENEDIOXYTHIOPHENE DERIVATIVES WITH PENDANT FUNCTIONAL GROUPS INDIAN INSTITUTE OF TECHNOLOGY BOMBAY (IN) 2006-11-09 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 (6 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-11331656-B2 Compositions and methods for visible-light-controlled ruthenium-catalyzed olefin metathesis PPOX, CYBA, CYBB MEN1 1935/4885KMT2A 3381/4885ALDH1A1 1395/4885
US-20130183269-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 MEN1 4834/4885KMT2A 4038/4885ALDH1A1 3966/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 MEN1 4834/4885KMT2A 4038/4885ALDH1A1 3966/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 MEN1 4834/4885KMT2A 4038/4885ALDH1A1 3966/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 MEN1 4834/4885KMT2A 4038/4885ALDH1A1 3966/4885
US-20220219155-A1 Compositions And Methods For Visible-Light-Controlled Ruthenium-Catalyzed Olefin Metathesis PPOX, CYBA, CYBB MEN1 1935/4885KMT2A 3381/4885ALDH1A1 1395/4885

“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.