SCHEMBL6429664

SCHEMBL6429664

OC1CCCCC(O)CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 1.00
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA4 P22748 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ESR2 Q92731 1/20 0.35
GPR119 Q8TDV5 1/20 0.33
THRB P10828 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
EPHX2 P34913 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SHBG P04278 1/20 0.32
NOS2 P35228 1/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 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
Cyclopentanol SCHEMBL2433 1.00
Cyclopentanol SCHEMBL1330691 1.00
SCHEMBL11324930 0.95 TSHR (0.91) TSHRCA1CA2CA4ALDH1A1
Cyclooctanol SCHEMBL8732936 0.95 TSHR (0.91) TSHRCA1CA2CA4ALDH1A1
SCHEMBL9215694 0.95 TSHR (0.91) TSHRCA1CA2CA4ALDH1A1
SCHEMBL23121456 0.95 TSHR (0.91) TSHRCA1CA2CA4ALDH1A1
SCHEMBL2197408 0.95 TSHR (0.91) TSHRCA1CA2CA4ALDH1A1
Cyclohexanol SCHEMBL8503956 0.95 TSHR (0.91) TSHRCA1CA2CA4ALDH1A1
SCHEMBL811883 0.95 TSHR (0.91) TSHRCA1CA2CA4ALDH1A1
SCHEMBL11948482 0.95 TSHR (0.91) TSHRCA1CA2CA4ALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2700636-B1 PROCESS FOR PREPARING EPISULFIDE COMPOUNDS ASAHI CHEMICAL IND (JP) 2017-08-02 EP disclosed
US-9359324-B2 Process for preparing episulfide compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-06-07 US disclosed
US-20150197501-A1 Process for Preparing Episulfide Compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-07-16 US disclosed
EP-2700636-A1 PROCESS FOR PREPARING EPISULFIDE COMPOUNDS Asahi Kasei Chemicals Corporation (JP) 2014-02-26 EP disclosed
US-7173039-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2007-02-06 US disclosed
US-6949585-B2 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI CO., LTD. (JP) 2005-09-27 US disclosed
US-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-04-29 US disclosed
EP-1375465-A9 CYCLOOCTANONE DERIVATIVE AND CYCLODECANONE DERIVATIVE, AND USE THEREOF Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
EP-1375479-A1 PYRROLIDINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Eisai Co., Ltd. (JP) 2004-01-02 EP disclosed
US-4373057-A FREE OF POLYMERIZATION CATALYSTS COLAMCO, INC. (US) 1983-02-08 US disclosed
US-4255301-A HEAT RESISTANCE, PHOTOSTABILITY ARGUS CHEMICAL CORPORATION (US) 1981-03-10 US disclosed
US-4116924-A Pigment concentrations HERCULES INCORPORATED (US) 1978-09-26 US disclosed
US-4002593-A Process for producing dispersions of pigments in condensation type polymers HERCULES INCORPORATED (US) 1977-01-11 US disclosed
US-3994201-A Separating element DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) 1976-11-30 US disclosed
US-3962313-A STABILIZERS, OXIDATION RESISTANCE DEXTER MARTIN 1976-06-08 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 (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-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof CCR1, CCL2, CCR5 TSHR 2547/4885CA1 2021/4885CA2 1248/4885
US-20150197501-A1 Process for Preparing Episulfide Compounds TST, EPHX2, STS TSHR 1233/4885CA1 4208/4885CA2 4172/4885

“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.