SCHEMBL1536424

SCHEMBL1536424

COc1cc(/C=C/C(=O)O)ccc1F

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.73
ALDH1A1 P00352 3/20 0.73
HPGD P15428 2/20 0.73
HSD17B10 Q99714 2/20 0.73
ALOX15 P16050 1/20 0.73
MAPK1 P28482 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
PKM P14618 2/20 0.69
SNCA P37840 2/20 0.69
CA12 O43570 1/20 0.69
CA1 P00915 1/20 0.69
CA2 P00918 1/20 0.69
CA3 P07451 1/20 0.69
CSNK2A2 P19784 1/20 0.69
CA4 P22748 1/20 0.69
CA6 P23280 1/20 0.69
CA5A P35218 1/20 0.69
CA7 P43166 1/20 0.69
CSNK2B P67870 1/20 0.69
CSNK2A1 P68400 1/20 0.69

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
SCHEMBL1536425 1.00 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL584262 0.87 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL584263 0.87 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL22391534 0.87 APP (0.69) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL27092069 0.87 APP (0.69) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL23350066 0.86 BACE1 (0.64) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL13953312 0.86 BACE1 (0.86) KDM4EALDH1A1HPGDHSD17B10ALOX15
Hydrochloric Acid SCHEMBL6818633 0.86 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10ALOX15
O,O'-Dimethylcaffeic Acid SCHEMBL81317 0.85 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10ALOX15
O,O'-Dimethylcaffeic Acid SCHEMBL81318 0.85 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-08-19 US disclosed
US-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-08-19 US disclosed
US-20210139414-A1 NOVEL BENZYLIDENEACETONE DERIVATIVE AND USE THEREOF KORPHARM CO., LTD. (KR) 2021-05-13 US disclosed
EP-3793550-A2 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2021-03-24 EP disclosed
EP-2914613-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-22 EP disclosed
EP-2914613-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-22 EP disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-9598433-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 US disclosed
US-9598433-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 US disclosed
US-9598433-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 US disclosed
WO-2005051410-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-09 WO disclosed
US-20050113399-A1 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2005-05-26 US disclosed
US-20050096350-A1 Halo substituted benzo[b]thiophenes as therapeutic agents CONNOLLY MICHAEL K (US) 2005-05-05 US disclosed
US-20050090432-A1 Macrocyclic isoquinoline peptide inhibitors of Hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2005-04-28 US disclosed
WO-2005035520-A1 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARMACEUTICALS, INC. (US) 2005-04-21 WO disclosed
WO-2005023800-A1 HALO SUBSTITUTED BENZO`B! THIOPHENES WITH PI3K INHIBITORY ACTIVITY AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-17 WO disclosed
EP-1505963-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
WO-2004094452-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
US-20040106559-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 US disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 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-20050113399-A1 Substituted isoquinolinones PFKP, MPL, TBXA2R KDM4E 4493/4885ALDH1A1 1929/4885HPGD 439/4885
US-20210139414-A1 NOVEL BENZYLIDENEACETONE DERIVATIVE AND USE THEREOF EBP, CREBBP, BPTF KDM4E 739/4885ALDH1A1 34/4885HPGD 192/4885
US-20050096350-A1 Halo substituted benzo[b]thiophenes as therapeutic agents HCLS1, BRI3BP, BRPF1 KDM4E 2444/4885ALDH1A1 1084/4885HPGD 2703/4885
US-20050090432-A1 Macrocyclic isoquinoline peptide inhibitors of Hepatitis C virus VIP, QPCT, HCCS KDM4E 4060/4885ALDH1A1 4253/4885HPGD 2959/4885
US-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, CDV3, HMBS KDM4E 1113/4885ALDH1A1 3136/4885HPGD 981/4885
US-20040106559-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, RNASE1 KDM4E 2792/4885ALDH1A1 512/4885HPGD 2731/4885

“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.