SCHEMBL878835

SCHEMBL878835

CCC1(C#N)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
GPR35 Q9HC97 1/20 0.32
PDE4A P27815 2/20 0.31

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
SCHEMBL11299703 1.00 ALDH1A1 (0.40) ALDH1A1GPR35PDE4A
SCHEMBL14533547 1.00 ALDH1A1 (0.40) ALDH1A1GPR35PDE4A
SCHEMBL2292115 0.97
SCHEMBL2292342 0.92
Acetic Acid SCHEMBL9843655 0.87 ALDH1A1 (0.37) ALDH1A1GPR35
SCHEMBL2288386 0.86
SCHEMBL11373490 0.80 NPC1 (0.39) ALDH1A1PDE4A
SCHEMBL2154595 0.78 ALDH1A1 (0.43) ALDH1A1
SCHEMBL2154404 0.78 ALDH1A1 (0.43) ALDH1A1
SCHEMBL7764816 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 US disclosed
US-20220185809-A1 SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC. (CA) 2022-06-16 US disclosed
US-20220024906-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2022-01-27 US disclosed
US-20210177856-A1 USE OF ATR INHIBITORS IN COMBINATION WITH PARP INHIBITORS REPARE THERAPEUTICS INC. (CA) 2021-06-17 US disclosed
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-01-31 US disclosed
CN-106083927-B Phosphino- amidine compound, metal complex, antigravity system and their oligomeric or olefin polymerization purposes 切弗朗菲利浦化学公司 2018-10-26 CN disclosed
CN-106083927-A Phosphinyl amidine compound, metal complex, antigravity system and their oligomeric or purposes of olefin polymerization 切弗朗菲利浦化学公司 2016-11-09 CN disclosed
CN-102781949-B Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use for oligomerizing or polymerizing olefins 切弗朗菲利浦化学公司 2016-07-06 CN disclosed
US-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 US disclosed
CN-102781949-A Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use for oligomerizing or polymerizing olefins CHEVRON PHILLIPS CHEMICAL CO 2012-11-14 CN disclosed
US-20100137445-A1 PLANT DISEASE CONTROL AGENT, AND PLANT DISEASE CONTROL METHOD SUMITOMO CHEMICAL COMPANY ,LIMITED 2010-06-03 US disclosed
EP-2179651-A1 PLANT DISEASE CONTROL AGENT, AND PLANT DISEASE CONTROL METHOD Sumitomo Chemical Company, Limited (JP) 2010-04-28 EP disclosed
EP-2174931-A1 AMIDE COMPOUND AND METHOD FOR CONTROLLING PLANT DISEASE USING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-04-14 EP disclosed
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20100056640-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
EP-2151431-A1 AMIDE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2010-02-10 EP disclosed
EP-2143709-A1 AMIDE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2010-01-13 EP disclosed
US-7442834-B2 Process suitable for industrial scale production of gabapentin ZHEJIANG CHIRAL MEDICINE CHEMICALS CO., LTD. (CN) 2008-10-28 US disclosed
WO-2008004698-A2 PYRAZOLO [1, 5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-01-10 WO disclosed
US-4283420-A ANTICONVULSANTS, ANTIANAPHYLACTIC AGENTS, ANTIPSYCHOTIC AGENTS LABAZ (FR) 1981-08-11 US 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 (9 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-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION HAVCR2, EIF2AK2, NR1H4 ALDH1A1 2569/4885GPR35 817/4885PDE4A 2596/4885
US-20220024906-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ALDH1A1 4654/4885GPR35 522/4885PDE4A 96/4885
US-20100056640-A1 AMIDE COMPOUND AND USE THEREOF NAT1, AGXT, HAX1 ALDH1A1 2983/4885GPR35 4093/4885PDE4A 1427/4885
US-20210177856-A1 USE OF ATR INHIBITORS IN COMBINATION WITH PARP INHIBITORS ATR, MRE11, PARP2 ALDH1A1 4193/4885GPR35 4358/4885PDE4A 3331/4885
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 ALDH1A1 1155/4885GPR35 2925/4885PDE4A 449/4885
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF CBR1, CBR3, GBA1 ALDH1A1 2111/4885GPR35 3118/4885PDE4A 3723/4885
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME CACNA1I, CACNA1B, CACNA1C ALDH1A1 1555/4885GPR35 1290/4885PDE4A 653/4885
US-20220185809-A1 SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 ALDH1A1 3792/4885GPR35 4096/4885PDE4A 1285/4885
US-20100137445-A1 PLANT DISEASE CONTROL AGENT, AND PLANT DISEASE CONTROL METHOD CBR3, CBR1, HDHD5 ALDH1A1 2677/4885GPR35 3772/4885PDE4A 3354/4885

“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.