SCHEMBL845824

SCHEMBL845824

CCCCC[CH]CC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.40
GGPS1 O95749 1/20 0.36
FAAH O00519 2/20 0.36
TRPV1 Q8NER1 2/20 0.36
THRB P10828 1/20 0.35
DNM1 Q05193 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
APEX1 P27695 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EP300 Q09472 1/20 0.32

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
SCHEMBL8560947 0.97 TSHR (0.44) TSHRGGPS1FAAHTRPV1THRB
SCHEMBL11409740 0.97 TSHR (0.44) TSHRGGPS1FAAHTRPV1THRB
SCHEMBL9543818 0.97 TSHR (0.44) TSHRGGPS1FAAHTRPV1THRB
SCHEMBL15929348 0.97 TSHR (0.44) TSHRGGPS1FAAHTRPV1THRB
SCHEMBL11416194 0.97 TSHR (0.44) TSHRGGPS1FAAHTRPV1THRB
SCHEMBL2320588 0.92 TSHR (0.39) TSHRTHRBALDH1A1
SCHEMBL3654899 0.80
SCHEMBL28542877 0.80 TSHR (0.37) TSHRGGPS1FAAHTRPV1THRB
SCHEMBL8350454 0.77 TSHR (0.39) TSHRGGPS1FAAHTRPV1THRB
SCHEMBL27481524 0.77 TSHR (0.39) TSHRGGPS1FAAHTRPV1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318502-A1 Pharmaceutical Compositions Comprising a Hypoglycemic Agent and Methods of Using Same INTRANASAL THERAPEUTICS, INC. (US) 2009-12-24 US claimed
WO-2007111933-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING A HYPOGLYCEMIC AGENT AND METHODS OF USING SAME INTRANASAL THERAPEUTICS , INC. (US) 2007-10-04 WO claimed
US-20020082426-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-06-27 US claimed
EP-1086083-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2001-09-26 EP claimed
EP-1086083-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-28 EP claimed
WO-1999064399-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-16 WO claimed
US-5180836-A Antiulcer agents NIPPON CHEMIPHAR CO., LTD. (JP) 1993-01-19 US claimed
US-5082943-A Antiulcer NIPPON CHEMIPHAR CO., LTD. (JP) 1992-01-21 US claimed
CN-113999158-B 3- (1-hydroxyalkylene) indolone and preparation method thereof 延边大学 2023-08-01 CN disclosed
EP-4028130-A1 BENZYL AMINE-CONTAINING 5,6-HETEROAROMATIC COMPOUNDS USEFUL AGAINST MYCOBACTERIAL INFECTION Shionogi & Co., Ltd (JP) 2022-07-20 EP disclosed
WO-2021050708-A1 BENZYL AMINE-CONTAINING 5,6-HETEROAROMATIC COMPOUNDS USEFUL AGAINST MYCOBACTERIAL INFECTION SHIONOGI & CO., LTD. (JP) 2021-03-18 WO disclosed
EP-3784248-A2 EXON SKIPPING OLIGOMERS AND OLIGOMER CONJUGATES FOR MUSCULAR DYSTROPHY Sarepta Therapeutics, Inc. (US) 2021-03-03 EP disclosed
EP-3252069-B1 (11.BETA.,17.BETA.)-17-HYDROXY-11-[4-(METHYLSULFONYL)PHENYL]-17-(PENTALFUOROMETHYL)ESTRA-4,9-DIEN-3-ONE FOR USE IN THE TREATMENT OF DISEASES Bayer Pharma AG (DE) 2019-04-03 EP disclosed
EP-2534155-B1 COMPOUNDS FOR TREATING RESPIRATORY SYNCYTIAL VIRUS INFECTIONS BIOTA SCIENT MANAGEMENT PTY LTD (AU) 2018-04-11 EP disclosed
WO-1991019733-A1 DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS ABBOTT LABORATORIES (US) 1991-12-26 WO disclosed
EP-0415103-A1 2,3-Dihydro-1-(pyridinylamino)-indoles, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-03-06 EP disclosed
EP-0129582-A4 ORALLY ADMINISTERED BIOLOGICALLY ACTIVE PEPTIDES AND PROTEINS. RESEARCH CORP (US) 1987-09-02 EP disclosed
US-4582820-A Orally administered biologically active peptides and proteins RESEARCH CORPORATION (US) 1986-04-15 US disclosed
EP-0129582-A1 ORALLY ADMINISTERED BIOLOGICALLY ACTIVE PEPTIDES AND PROTEINS University of Washington (US) 1985-01-02 EP disclosed
WO-1984002467-A1 ORALLY ADMINISTERED BIOLOGICALLY ACTIVE PEPTIDES AND PROTEINS RESEARCH CORP (US) 1984-07-05 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 (2 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-20020082426-A1 Protease inhibitors CTSK, CTSZ, CTSB TSHR 4341/4885GGPS1 2322/4885FAAH 762/4885
US-20090318502-A1 Pharmaceutical Compositions Comprising a Hypoglycemic Agent and Methods of Using Same IAPP, GPR119, SLC5A2 TSHR 3402/4885GGPS1 2387/4885FAAH 3150/4885

“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.