SCHEMBL61662

SCHEMBL61662

CC1CCC(C(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX1 P07099 1/20 0.37
LIPA P38571 1/20 0.34
GLA P06280 1/20 0.31
EPHX2 P34913 1/20 0.31
HSD11B1 P28845 1/20 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
SCHEMBL6130349 1.00 TSHR (0.37) TSHRNPSR1EPHX1LIPAGLA
SCHEMBL6130372 1.00 TSHR (0.37) TSHRNPSR1EPHX1LIPAGLA
Bromide SCHEMBL11028367 0.97 TSHR (0.36) TSHRNPSR1EPHX1LIPAGLA
Bromide SCHEMBL11201644 0.97 TSHR (0.36) TSHRNPSR1EPHX1LIPAGLA
SCHEMBL2452572 0.87 LIPA (0.33) TSHRNPSR1EPHX1LIPA
SCHEMBL5615220 0.86 EPHX1 (0.42) EPHX1LIPAGLAEPHX2HSD11B1
SCHEMBL5270433 0.86
SCHEMBL22797 0.86
SCHEMBL999461 0.84 EPHX1 (0.42) TSHRNPSR1EPHX1GLAEPHX2
SCHEMBL16411438 0.81 L3MBTL1 (0.33) EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009051337-A1 PERFLUOROCARBON NANO-EMULSION CONTAINING QUANTUM DOT NANOPARTICLES AND METHOD FOR PREPARING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-04-23 WO claimed
US-20050112693-A1 Diketodiazacyclic compounds, diazacyclic compounds and combinatorial libraries thereof NEFZI ADEL (US) 2005-05-26 US claimed
US-20030120066-A1 Synthetic peptides NEFZI ADEL (US) 2003-06-26 US claimed
EP-1181279-A4 DIKETODIAZACYCLIC COMPOUNDS, DIAZACYCLIC COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF TORREY PINES INST (US) 2002-09-25 EP claimed
US-6441172-B1 DI- AND TRI-SUBSTITUTED-1,4-DIAZACYCLIC COMPOUNDS TORREY PINES INSTITUTE FOR MOLECULAR STUDIES 2002-08-27 US claimed
US-6359144-B1 BIOSYNTHESIS; SCREENING LION BIOSCIENCE AG (DE) 2002-03-19 US claimed
EP-1181279-A1 DIKETODIAZACYCLIC COMPOUNDS, DIAZACYCLIC COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2002-02-27 EP claimed
WO-2000069830-A1 DIKETODIAZACYCLIC COMPOUNDS, DIAZACYCLIC COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2000-11-23 WO claimed
WO-1998034113-A1 COMBINATORIAL LIBRARIES OF BICYCLIC GUANIDINE DERIVATIVES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
US-5786448-A FOR SCREENING, SYNTHESIZING PEPTIDE DERIVATIVES TREGA BIOSCIENCES, INC. (US) 1998-07-28 US claimed
WO-1998019693-A1 COMBINATORIAL LIBRARIES OF CYCLIC UREA AND CYCLIC THIOUREA DERIVATIVES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-05-14 WO claimed
EP-0300287-B1 PROCESS FOR THE REDUCTION OF KETONES MERCK PATENT GmbH (DE) 1993-01-07 EP claimed
CN-115304606-B Degradation agent for simultaneously targeting BTK and GSPT proteins 清华大学 2024-04-19 CN disclosed
US-20240025849-A1 INHIBITORS OF NO PRODUCTION CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2024-01-25 US disclosed
WO-2024008610-A1 MACROCYCLIC INHIBITORS OF KRAS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-01-11 WO disclosed
US-20230218633-A1 METHODS OF TREATING ORAL MUCOSITIS GALERA LABS, LLC 2023-07-13 US disclosed
US-4307016-A FUNGICIDES, PROTOZOACIDES OR ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-12-22 US disclosed
US-4294757-A BLEACHING CELLULOSE FIBERS AND ADDITION OF ALKALI METAL POLYPHOSPHATES AND ALKALI METAL DIETHYLENETRIAMINE PENTA(METHYLENE PHOSPHONAT) TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1981-10-13 US disclosed
EP-0014402-A1 Novel 20-0-acylmaytansinoids, process for their preparation and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-08-20 EP disclosed
EP-0004466-A1 Demethyl maytansinoids and methods for producing them Takeda Chemical Industries, Ltd. (JP) 1979-10-03 EP 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-20230218633-A1 METHODS OF TREATING ORAL MUCOSITIS LPO, SOD3, MPO TSHR 4467/4885NPSR1 3198/4885EPHX1 3572/4885
US-20240025849-A1 INHIBITORS OF NO PRODUCTION NOS2, NOS1, NOS3 TSHR 2975/4885NPSR1 1256/4885EPHX1 881/4885
US-20050112693-A1 Diketodiazacyclic compounds, diazacyclic compounds and combinatorial libraries thereof DHPS, DCK, DAZAP1 TSHR 4153/4885NPSR1 4189/4885EPHX1 1807/4885
US-20030120066-A1 Synthetic peptides VIP, NGLY1, GRPR TSHR 1043/4885NPSR1 814/4885EPHX1 4112/4885

“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.