SCHEMBL1007065

SCHEMBL1007065

CC1CCCC(O)CCC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ESR2 Q92731 1/20 0.33
EPHX1 P07099 1/20 0.31
SHBG P04278 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
SCHEMBL20364220 1.00 TSHR (0.56) TSHRCA1CA2CA4CYP2C9
SCHEMBL19272821 0.97 TSHR (0.62) TSHRCA1CA2CA4CYP2C9
SCHEMBL15906213 0.94
SCHEMBL1006983 0.94
SCHEMBL12202956 0.90 TSHR (0.62) TSHRCA1CA2CA4TDP1
SCHEMBL4847697 0.88 TSHR (0.59) TSHRCA1CA2CA4ESR2
SCHEMBL20461257 0.87 TSHR (0.43) TSHR
SCHEMBL2193782 0.85 TSHR (0.56) TSHRCA1CA2CA4TDP1
SCHEMBL13767338 0.85 TSHR (0.56) TSHRCA1CA2CA4TDP1
SCHEMBL328907 0.82 TSHR (0.82) TSHRCA1CA2CA4ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10357035-B2 Microbiocidal anilide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2019-07-23 US disclosed
EP-2850121-B1 HIGH PERFORMANCE POLYSULFONES MADE FROM CYCLOALIPHATIC DIOLS SOLVAY SPECIALTY POLYMERS USA (US) 2018-07-11 EP disclosed
US-9765176-B2 Poly(ether ketone) polymers comprising cycloaliphatic units SOLVAY SPECIALTY POLYMERS USA, LLC (US) 2017-09-19 US disclosed
US-9504753-B2 Nanometer-sized prodrugs of NSAIDs CEDARS-SINAI MEDICAL CENTER (US) 2016-11-29 US disclosed
US-20150344610-A1 POLY(ETHER KETONE) POLYMERS COMPRISING CYCLOALIPHATIC UNITS SOLVAY SPECIALITY POLYMERS USA, LLC 2015-12-03 US disclosed
WO-2014172663-A1 NANOMETER-SIZED PRODRUGS OF NSAIDS TO TREAT TRAUMATIC BRAIN INJURY CEDARS-SINAI MEDICAL CENTER (US) 2014-10-23 WO disclosed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
US-8304202-B2 Interaction of BIM with TRIM2 LEGACY EMANUEL HOSPITAL & HEALTH CENTER (US) 2012-11-06 US disclosed
EP-1710223-B1 PROCESS FOR PRODUCING ALDEHYDE COMPOUND OR KETONE COMPOUND WITH USE OF MICROREACTOR UBE INDUSTRIES (JP) 2012-10-31 EP disclosed
EP-2272817-A1 PAI-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2011-01-12 EP disclosed
US-20100203552-A1 INTERACTION OF BIM WITH TRIM2 LEGACY EMANUEL HOSPITAL & HEALTH CENTER (US) 2010-08-12 US disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US disclosed
US-20090029925-A1 INTERACTION OF BIM WITH TRIM2, AN E3 UBIQUITIN LIGASE LEGACY EMANUEL HOSPITAL & HEALTH CENTER (US) 2009-01-29 US disclosed
US-7332632-B2 Method for producing aldehyde compound or ketone compound by using microreactor Ubē Industries, Ltd. (JP) 2008-02-19 US disclosed
US-20070149823-A1 Method for producing aldehyde compound or ketone compound by using microreactor UBE INDUSTRIES, LTD., A CORPORATION OF JAPAN (JP) 2007-06-28 US disclosed
EP-1710223-A1 PROCESS FOR PRODUCING ALDEHYDE COMPOUND OR KETONE COMPOUND WITH USE OF MICROREACTOR Ube Industries, Ltd. (JP) 2006-10-11 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 (3 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-10357035-B2 Microbiocidal anilide derivatives MSR1, ARG1, ARG2 TSHR 2318/4885CA1 2554/4885CA2 1796/4885
US-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 TSHR 884/4885CA1 2233/4885CA2 2722/4885
US-20070149823-A1 Method for producing aldehyde compound or ketone compound by using microreactor ADH1C, ADH1A, ALDH1A1 TSHR 2363/4885CA1 1026/4885CA2 2767/4885

“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.