SCHEMBL6445496

SCHEMBL6445496

CCO/C=C\C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.58
MAPT P10636 5/20 0.47
NPSR1 Q6W5P4 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 3/20 0.42
ATM Q13315 1/20 0.41
TTR P02766 1/20 0.41
DPP4 P27487 1/20 0.41
CASP1 P29466 1/20 0.41
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 1/20 0.39
MDM2 Q00987 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL94677 1.00 HCAR2 (0.58) HCAR2MAPTNPSR1CA12CA1
SCHEMBL94676 1.00 HCAR2 (0.58) HCAR2MAPTNPSR1CA12CA1
SCHEMBL361271 0.85 HCAR2 (0.59) HCAR2MAPTNPSR1CA12CA1
SCHEMBL1888855 0.85 HCAR2 (0.59) HCAR2MAPTNPSR1CA12CA1
SCHEMBL28399684 0.85 HCAR2 (0.52) HCAR2MAPTNPSR1CA12CA1
SCHEMBL31058784 0.82 HCAR2 (0.46) HCAR2MAPTNPSR1CA12CA1
SCHEMBL30965305 0.82 HCAR2 (0.46) HCAR2MAPTNPSR1CA12CA1
Diethyl Maleate SCHEMBL43033 0.82 HCAR2 (0.80) HCAR2MAPTNPSR1CA12CA1
Diethyl Maleate SCHEMBL42602 0.82 HCAR2 (0.80) HCAR2MAPTNPSR1CA12CA1
Diethyl Maleate SCHEMBL60423 0.82 HCAR2 (0.80) HCAR2MAPTNPSR1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11059788-B2 Streamlined syntheses of fluoroquinolones VIRGINIA COMMONWEALTH UNIVERSITY (US) 2021-07-13 US disclosed
US-11059788-B2 Streamlined syntheses of fluoroquinolones VIRGINIA COMMONWEALTH UNIVERSITY (US) 2021-07-13 US disclosed
US-20200123111-A1 STREAMLINED SYNTHESES OF FLUOROQUINOLONES VIRGINIA COMMONWEALTH UNIVERSITY 2020-04-23 US disclosed
US-8987268-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed
US-8921368-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-30 US disclosed
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 US disclosed
US-20140011795-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 US disclosed
US-7285686-B2 Process for the preparation of 1,3-substituted indenes PFIZER INC (US) 2007-10-23 US disclosed
EP-1537091-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-08 EP disclosed
WO-2004020420-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-03-11 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 (4 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-20140011795-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES JAK3, JAK1, JAK2 HCAR2 2881/4885MAPT 4203/4885NPSR1 3563/4885
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES JAK3, JAK1, JAK2 HCAR2 2884/4885MAPT 4218/4885NPSR1 3477/4885
US-20200123111-A1 STREAMLINED SYNTHESES OF FLUOROQUINOLONES NRAS, QARS1, BLM HCAR2 4582/4885MAPT 3184/4885NPSR1 4694/4885
US-11059788-B2 Streamlined syntheses of fluoroquinolones NRAS, QARS1, BLM HCAR2 4582/4885MAPT 3184/4885NPSR1 4694/4885

“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.