SCHEMBL1200547

SCHEMBL1200547

CCOC(C#N)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
TRPA1 O75762 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.38
POLB P06746 1/20 0.37
PBRM1 Q86U86 1/20 0.37
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SCN1A P35498 3/20 0.35
SCN2A Q99250 3/20 0.35
SCN3A Q9NY46 3/20 0.35
MIF P14174 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL27836981 1.00 TSHR (0.42) TSHRTRPA1L3MBTL1LMNAPOLB
SCHEMBL1199360 0.85 TSHR (0.37) TSHRTRPA1L3MBTL1LMNAPOLB
SCHEMBL5688135 0.82
SCHEMBL27836987 0.82 LTA4H (0.41) TSHRTRPA1LMNAPBRM1HTT
SCHEMBL1200540 0.81 TRPA1 (0.39) TSHRTRPA1L3MBTL1LMNAPOLB
SCHEMBL27837012 0.81 TSHR (0.39) TSHRTRPA1LMNAPBRM1HTT
SCHEMBL1200950 0.81 TSHR (0.39) TSHRTRPA1LMNAPBRM1HTT
SCHEMBL1200210 0.80 TSHR (0.36) TSHRTRPA1L3MBTL1LMNAPOLB
SCHEMBL4775948 0.80 TRPA1 (0.47) TSHRTRPA1LMNAPBRM1HTT
SCHEMBL9165581 0.80 L3MBTL1 (0.43) TSHRL3MBTL1LMNAPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
CN-103936665-B A kind of synthetic method of 4-substituted piperidine derivative 中国人民解放军63975部队 2016-08-17 CN disclosed
CN-104701570-A Non-aqueous organic high-voltage electrolyte additive, non-aqueous organic high-voltage electrolyte and lithium ion secondary battery HUAWEI TECH CO LTD 2015-06-10 CN disclosed
US-8309753-B2 Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-10 US disclosed
EP-2264005-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-12-22 EP disclosed
WO-2003042148-A2 PROCESS FOR PRODUCING BISBENZIL COMPOUNDS SHOWA DENKO K. K. (JP) 2003-05-22 WO disclosed
US-5223530-A Selective high-affinity ligands for treatment of psychological disorders, side effect reduction SRI, INTERNATIONAL (US) 1993-06-29 US disclosed
EP-0495084-A1 ARYLCYCLOALKANEPOLYALKYLAMINES SRI INTERNATIONAL (US) 1992-07-22 EP disclosed
WO-1992002481-A1 ARYLCYCLOALKANEPOLYALKYLAMINES SRI INTERNATIONAL (US) 1992-02-20 WO disclosed
US-5086054-A Selective high-affinity ligands to sigma boding sites, administering, amipsychotic, antiarrhythmia, antiischemic agents anticonvulsants, reduced side effects SRI INTERNATIONAL (US) 1992-02-04 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 (1 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-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND CBR3, ACSL3, CCNL2 TSHR 4501/4885TRPA1 1105/4885L3MBTL1 430/4885

“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.