SCHEMBL3968081

SCHEMBL3968081

C=CCC(CCCC)C(=O)C(CC=C)CCCC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.47
MAPK1 P28482 1/20 0.47
CA1 P00915 4/20 0.45
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
TSHR P16473 4/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
FAAH O00519 1/20 0.39
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
CPA1 P15085 1/20 0.36

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
SCHEMBL5363929 0.87 CHRM1 (0.46) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL5067753 0.86 CA2 (0.46) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL570260 0.86 CA2 (0.61) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL2081268 0.86 CA2 (0.61) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL5805533 0.84 CA2 (0.44) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL8572261 0.84 CA2 (0.59) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL5197384 0.84 CA2 (0.44) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL28191059 0.84 CA2 (0.62) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL8567555 0.84 CA2 (0.59) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL8572256 0.82 CA2 (0.58) CA2MAPK1CA1SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5786071-A Method of preparation of polyquinolines HITACHI CHEMICAL COMPANY, LTD. (JP) 1998-07-28 US claimed
CN-111808044-B Green synthesis method for efficiently synthesizing aminothiazole derivative through carbene insertion/cyclization reaction under catalysis of transition metal 四川大学 2022-10-21 CN disclosed
CN-111808044-A Novel green synthesis method for efficiently synthesizing aminothiazole derivative through carbene insertion/cyclization reaction under catalysis of transition metal 四川大学 2020-10-23 CN disclosed
CN-102558231-B Ophthalmic compositions for treating ocular hypertension MERCK & CO INC 2015-05-27 CN disclosed
EP-1562909-B1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK SHARP & DOHME (US) 2012-06-27 EP disclosed
US-7547720-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-06-16 US disclosed
US-7528163-B2 N,N-Dibutyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxy-1H-indazol-1-yl]acetamide; potassium channel blocker; eye neuroprotectant; hypotensive agent; glaucoma, intraoccular pressure in the eye MERCK & CO. INC. (US) 2009-05-05 US disclosed
EP-1663987-B1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-03-18 EP disclosed
US-7410992-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2008-08-12 US disclosed
EP-1581503-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2007-07-25 EP disclosed
EP-1562909-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2005-08-17 EP disclosed
EP-1448758-B1 IMPROVEMENTS RELATING TO DETERGENT BARS UNILEVER NV (NL) 2005-04-20 EP disclosed
WO-2005026128-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2005-03-24 WO disclosed
US-20050014666-A1 Detergent bars UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2005-01-20 US disclosed
EP-1448758-A1 IMPROVEMENTS RELATING TO DETERGENT BARS UNILEVER N.V. (NL) 2004-08-25 EP disclosed
WO-2004043933-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2004-05-27 WO disclosed
WO-2004043932-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2004-05-27 WO disclosed
WO-2004043354-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2004-05-27 WO disclosed
US-20040097575-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME LLC 2004-05-20 US disclosed
WO-2003046119-A1 IMPROVEMENTS RELATING TO DETERGENT BARS UNILEVER N.V. (NL) 2003-06-05 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 (1 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-20040097575-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNJ11, KCNN1 CA2 93/4885MAPK1 410/4885CA1 1477/4885

“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.