SCHEMBL28416

SCHEMBL28416

c1ccc(C2CCCCO2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.44
KCNH2 Q12809 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
SLC18A3 Q16572 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PRKAG1 P54619 3/20 0.39
PRKAA1 Q13131 3/20 0.39
PRKAB1 Q9Y478 3/20 0.39
PRKAB2 O43741 2/20 0.39
PRKAA2 P54646 2/20 0.39
PRKAG3 Q9UGI9 2/20 0.39
PRKAG2 Q9UGJ0 2/20 0.39
NLRP3 Q96P20 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
SCHEMBL18215382 1.00 TSHR (0.54) TSHRSMN1; SMN2KCNH2HRH3SLC18A3
SCHEMBL18388973 1.00 TSHR (0.54) TSHRSMN1; SMN2KCNH2HRH3SLC18A3
SCHEMBL1266842 0.98 TSHR (0.52) TSHRSMN1; SMN2KCNH2HRH3SLC18A3
SCHEMBL17414393 0.93 TSHR (0.56) TSHRSMN1; SMN2KCNH2HRH3SLC6A2
SCHEMBL28414 0.93 TSHR (0.56) TSHRSMN1; SMN2KCNH2HRH3SLC6A2
Water SCHEMBL7156214 0.91 TSHR (0.54) TSHRSMN1; SMN2KCNH2HRH3SLC6A2
SCHEMBL28318493 0.91 TSHR (0.54) TSHRSMN1; SMN2KCNH2HRH3SLC6A2
SCHEMBL23483031 0.88 PRKAG1 (0.44) TSHRKCNH2HRH3PRKAG1PRKAA1
SCHEMBL1195857 0.86 TSHR (0.64) TSHRSMN1; SMN2SLC18A3SLC6A2SLC6A4
Trimethylammonium SCHEMBL14720864 0.86 TSHR (0.48) TSHRSMN1; SMN2KCNH2HRH3SLC6A2

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 1286 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063326-A Method for promoting nickel catalysis to synthesize arylamine compound by red light 陕西师范大学 2024-05-24 CN claimed
US-20240122941-A1 THERAPY BASED ON SYNTHETIC LETHALITY IN SWI/SNF COMPLEX-DYSFUNCTION CANCER NATIONAL CANCER CENTER (JP) 2024-04-18 US claimed
CN-116568786-A Synergistic perfuming composition 弗门尼舍有限公司 2023-08-08 CN claimed
CN-116528818-A Synergistic perfuming composition 弗门尼舍有限公司 2023-08-01 CN claimed
US-11535647-B2 Peptide purification method using sulfonate compound NAGASE & CO., LTD. (JP) 2022-12-27 US claimed
CN-114752053-A Polycarbonate resin, method for producing same, and optical lens 三菱瓦斯化学株式会社 2022-07-15 CN claimed
CN-114716658-A Polycarbonate resin, method for producing same, and optical lens 三菱瓦斯化学株式会社 2022-07-08 CN claimed
US-20220144888-A1 PEPTIDE PURIFICATION METHOD USING SULFONATE COMPOUND NAGASE & CO., LTD. (JP) 2022-05-12 US claimed
CN-111440132-B Novel method for preparing oxygen heterocyclic compound by ionic liquid catalysis 中国科学院化学研究所 2022-02-01 CN claimed
WO-2022017444-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF 贝达药业股份有限公司 2022-01-27 WO claimed
WO-2006127228-A1 METHOD OF FORMING NANOCOMPOSITE MATERIALS UNIVERSITY OF DAYTON (US) 2006-11-30 WO claimed
US-20060079623-A1 Method of forming nanocomposite materials AIR FORCE, THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE 2006-04-13 US claimed
WO-2006003096-A1 CONDENSED THIOPHENE DERIVATIVES AND THEIR USE AS CYCLIC GLP-1 AGONISTS NOVO NORDISK A/S (DK) 2006-01-12 WO claimed
EP-1389194-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-02-18 EP claimed
US-20030095958-A1 Inhibitors of bace VERTEX PHARMACEUTICALS INCORPORATED 2003-05-22 US claimed
CN-1411522-A Enzymatic process for dyeing with vat and sulphur dyes NOVOZYMES BIOTECH INC (US) 2003-04-16 CN claimed
US-6503926-B2 Nitrogen heterocycle compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-01-07 US claimed
WO-2002088101-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 WO claimed
US-6288083-B1 ADMINISTERING COMOUNDS SUCH AS 4-(4-CHLOROPHENYL)-1-(4-(3-METHOXYPHENYL)-4-(3-PYRIDINYL)-3 -BUTENYL)PIPERIDIN-4-OL TO TREAT DISEASES ASSOCIATED WITH ABERRANT LEUKOCYTE RECRUITMENT AND/OR ACTIVATION MILLENNIUM PHARMACEUTICALS, INC. 2001-09-11 US claimed
WO-1992011006-A1 THERAPEUTICAL AGENT AGAINST VIRAL DISEASES DEUTSCHES PRIMATENZENTRUM GMBH (DE) 1992-07-09 WO claimed

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-20030095958-A1 Inhibitors of bace BACE2, BACE1, APP TSHR 4868/4885SMN1; SMN2 1876/4885KCNH2 4359/4885
US-20220144888-A1 PEPTIDE PURIFICATION METHOD USING SULFONATE COMPOUND VIP, IAPP, RPS27A TSHR 1129/4885SMN1; SMN2 1752/4885KCNH2 4255/4885
US-11535647-B2 Peptide purification method using sulfonate compound VIP, IAPP, RPS27A TSHR 1129/4885SMN1; SMN2 1752/4885KCNH2 4255/4885
US-20240122941-A1 THERAPY BASED ON SYNTHETIC LETHALITY IN SWI/SNF COMPLEX-DYSFUNCTION CANCER SMARCC1, SMARCA4, SMARCC2 TSHR 3169/4885SMN1; SMN2 914/4885KCNH2 4661/4885

“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.