SCHEMBL1683289

SCHEMBL1683289

CCCCCC[CH]CCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH4 P08319 1/20 0.42
ADH7 P40394 1/20 0.42
DNM1 Q05193 5/20 0.39
THRB P10828 1/20 0.38
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
OPRM1 P35372 1/20 0.37
CNR1 P21554 2/20 0.37
SPHK1 Q9NYA1 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL3335405 1.00 TSHR (0.42) TSHRADH1BADH1CADH1AADH4
SCHEMBL2712523 1.00 TSHR (0.42) TSHRADH1BADH1CADH1AADH4
SCHEMBL14759069 1.00 TSHR (0.42) TSHRADH1BADH1CADH1AADH4
SCHEMBL8868706 1.00 TSHR (0.42) TSHRADH1BADH1CADH1AADH4
SCHEMBL1130661 0.98 ADH1B (0.39) TSHRADH1BADH1CADH1AADH4
SCHEMBL7923014 0.91 ADH1B (0.47) TSHRADH1BADH1CADH1AADH4
SCHEMBL8411738 0.91 ADH1B (0.47) TSHRADH1BADH1CADH1AADH4
SCHEMBL9579563 0.91 ADH1B (0.47) TSHRADH1BADH1CADH1AADH4
SCHEMBL19252728 0.91 ADH1B (0.47) TSHRADH1BADH1CADH1AADH4
SCHEMBL2690910 0.91 TSHR (0.42) TSHRADH1BADH1CADH1AADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131239-A1 Method for Producing Mixtures of Alkylphosphonous Acid Salts And Dialkylphosphinic Acid Salts CLARIANT FINANCE (BVI) LIMITED (VG) 2013-05-23 US claimed
EP-2563797-A2 METHOD FOR PRODUCING MIXTURES OF ALKYLPHOSPHONOUS ACID SALTS AND DIALKYLPHOSPHINIC ACID SALTS Clariant Finance (BVI) Limited (VG) 2013-03-06 EP claimed
CN-102250094-A 2-alkylthio-9-alcoxyalkyl adenine compound and synthesis thereof UNIV BEIJING CHEMICAL 2011-11-23 CN claimed
WO-2011134620-A2 METHOD FOR PRODUCING MIXTURES OF ALKYLPHOSPHONOUS ACID SALTS AND DIALKYLPHOSPHINIC ACID SALTS CLARIANT INTERNATIONAL LTD (CH) 2011-11-03 WO claimed
EP-1308541-A1 Plating bath and method for depositing a metal layer on a substrate Shipley Company LLC (US) 2003-05-07 EP claimed
US-20030066756-A1 Plating bath and method for depositing a metal layer on a substrate SHIPLEY COMPANY, L.L.C. 2003-04-10 US claimed
CN-111465593-B Novel compound, photopolymerization initiator containing the same, and photosensitive resin composition containing the photopolymerization initiator 日本化药株式会社 2023-06-23 CN disclosed
CN-112552173-B Preparation method of fluoro alkenyl ketone compound 山东领海生物科技有限公司 2022-11-15 CN disclosed
WO-2021009311-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2021-01-21 WO disclosed
US-10716795-B2 Steroid analogues for neuroprotection EMORY UNIVERSITY (US) 2020-07-21 US disclosed
US-10239856-B2 Synthesis of resorcylic acid lactones useful as therapeutic agents UNIVERSITY DE STRASBOURG (FR) 2019-03-26 US disclosed
US-20180221390-A1 Steroid Analogues for Neuroprotection UNIV EMORY (US) 2018-08-09 US disclosed
US-20170174669-A1 POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES UNIV STRASBOURG (FR) 2017-06-22 US disclosed
CN-1034501-C (Bemzhydryloxyethylpiperidyl) aliphatic acid derivatives and their use in the treatment of allergies and asthma SANKYO CO (JP) 1997-04-09 CN disclosed
US-5102793-A STEREOSPECIFIC KETO REDUCTION OF BICYCLOOCTANDIONE-CARBOXYLIC ACID ESTERS BY MICROORGANISMS SCHERING AKTIENGESELLSCHAFT (DE) 1992-04-07 US disclosed
CN-1051178-A New heterogeneous ring compound and preparation method thereof YAMANOUCHI PHARMA CO LTD (JP) 1991-05-08 CN disclosed
US-4918107-A HYDROXYPHENYLACETYL-L-ASPARAGINYL COMPOUNDS TSUMURA & CO. (JP) 1990-04-17 US disclosed
US-4288361-A ANTIOXIDANTS FOR POLYMERS CARSTAB CORPORATION (US) 1981-09-08 US disclosed
US-4205176-A ANTIOXIDANTS CINCINNATI MILACRON CHEMICALS INC. (US) 1980-05-27 US disclosed
US-3976700-A FROM ACETONE AND PRENYL CHLORIDE, ALKALI METAL HYDROXIDE, NITROGEN CONTAINING CATALYST RHODIA, INC. (US) 1976-08-24 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 (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-20170174669-A1 POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES HSP90AB2P, HSP90AB1, HSP90AA1 TSHR 3852/4885ADH1B 4474/4885ADH1C 2942/4885
US-20180221390-A1 Steroid Analogues for Neuroprotection CYP11A1, NR3C2, HSD17B7 TSHR 2481/4885ADH1B 1168/4885ADH1C 1245/4885
US-10239856-B2 Synthesis of resorcylic acid lactones useful as therapeutic agents HSP90AA1, HSP90AB1, HSP90AB2P TSHR 3246/4885ADH1B 3556/4885ADH1C 3442/4885
US-10716795-B2 Steroid analogues for neuroprotection CYP11A1, NR3C2, HSD17B7 TSHR 2481/4885ADH1B 1168/4885ADH1C 1245/4885

“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.