Sugi Predict

Sugi Predict / Compounds / SCHEMBL1934043

SCHEMBL1934043

SCHEMBL1934043

CCC[C@H]1CO[C@H](c2ccc(C#N)cc2)OC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.38
▸ GRM2 Q14416 1/20 0.38
▸ TBXA2R P21731 2/20 0.34
▸ HRH3 Q9Y5N1 3/20 0.34
▸ CHRNA10 Q9GZZ6 1/20 0.34
▸ CHRNA9 Q9UGM1 1/20 0.34
▸ TBXAS1 P24557 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ ELANE P08246 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ GRIA2 P42262 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL1934042 1.00 CYP2A6 (0.38) CYP2A6GRM2TBXA2RHRH3CHRNA10
SCHEMBL10640565 0.96 TSHR (0.40) CYP2A6GRM2HRH3TSHRHSD17B10
SCHEMBL9556490 0.94 MEN1 (0.37) CYP2A6GRM2TBXA2RHRH3ALDH1A1
SCHEMBL9556485 0.94 MEN1 (0.37) CYP2A6GRM2TBXA2RHRH3ALDH1A1
SCHEMBL7778804 0.93 GRM2 (0.34) CYP2A6GRM2TBXA2RHRH3CHRNA10
SCHEMBL7778800 0.93 GRM2 (0.34) CYP2A6GRM2TBXA2RHRH3CHRNA10
SCHEMBL7778796 0.93 GRM2 (0.34) CYP2A6GRM2TBXA2RHRH3CHRNA10
SCHEMBL7774522 0.92 GRM2 (0.34) CYP2A6GRM2TBXA2RHRH3CHRNA10
SCHEMBL1934266 0.91 GRM2 (0.41) CYP2A6GRM2TBXA2RHRH3CHRNA10
SCHEMBL7910396 0.91 GRM2 (0.41) CYP2A6GRM2TBXA2RHRH3CHRNA10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4364838-A Liquid crystal mixtures HOFFMANN-LA ROCHE INC. (US) 1982-12-21 — — US claimed
EP-2511318-B1 METHOD FOR PRODUCING CONJUGATED POLYMER FUJIFILM CORP (JP) 2018-02-21 — — EP disclosed
US-9449732-B2 Charge transport film, method for producing the same, and light-emitting element and photoelectric conversion element using the same FUJIFILM CORPORATION (JP) 2016-09-20 — — US disclosed
EP-2511318-A1 METHOD FOR PRODUCING CONJUGATED POLYMER FUJIFILM Corporation (JP) 2012-10-17 — — EP disclosed
EP-2507851-A1 CHARGE TRANSPORT FILM, METHOD FOR PRODUCING THE SAME, AND LIGHT-EMITTING ELEMENT AND PHOTOELECTRIC CONVERSION ELEMENT USING THE SAME FUJIFILM Corporation (JP) 2012-10-10 — — EP disclosed
US-20120241326-A1 METHOD OF PREPARING CONJUGATED POLYMER FUJIFILM CORPORATION (JP) 2012-09-27 — — US disclosed
US-20120238774-A1 CHARGE TRANSPORT FILM, METHOD FOR PRODUCING THE SAME, AND LIGHT-EMITTING ELEMENT AND PHOTOELECTRIC CONVERSION ELEMENT USING THE SAME FUJIFILM CORPORATION (JP) 2012-09-20 — — US disclosed
WO-2011068232-A1 CHARGE TRANSPORT FILM, METHOD FOR PRODUCING THE SAME, AND LIGHT-EMITTING ELEMENT AND PHOTOELECTRIC CONVERSION ELEMENT USING THE SAME FUJIFILM CORPORATION (JP) 2011-06-09 — — WO disclosed
EP-0318003-B1 A liquid crystal composition for twist nematic mode CHISSO CORP (JP) 1993-10-20 — — EP disclosed
US-4935160-A Liquid-crystal guest-host systems MERCK PATENT GESSELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-06-19 — — US disclosed
US-4923632-A LOW THRESHOLD-VOLTAGE AND TEMPERATURE DEPENDENCY; CYCLOHEXYL-AND FLUORO-SUBSTITUTED BENZENE CHISSO CORPORATION (JP) 1990-05-08 — — US disclosed
EP-0126949-B1 FLUORINE-CONTAINING PYRIMIDINE DERIVATIVES MERCK PATENT GmbH (DE) 1989-09-27 — — EP disclosed
EP-0318003-A2 A liquid crystal composition for twist nematic mode CHISSO CORPORATION (JP) 1989-05-31 — — EP disclosed
US-4812258-A LIQUID CRYSTAL DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-03-14 — — US disclosed
EP-0118061-B1 LIQUID CRYSTAL GUEST HOST SYSTEMS MERCK PATENT GmbH (DE) 1988-09-14 — — EP disclosed
EP-0126949-A2 Fluorine-containing pyrimidine derivatives MERCK PATENT GmbH (DE) 1984-12-05 — — EP disclosed
EP-0118061-A2 Liquid crystal guest host systems MERCK PATENT GmbH (DE) 1984-09-12 — — EP disclosed
US-4419264-A Fluorine-containing 4,4'-bis-(cyclohexyl)-biphenyl derivatives, and dielectrics and electro-optical display elements containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-12-06 — — US disclosed
US-4364838-A Liquid crystal mixtures HOFFMANN-LA ROCHE INC. (US) 1982-12-21 — — US disclosed
EP-0064193-A1 4,4'-Bis-(cyclohexyl)-biphenyl derivatives that contain fluorine, dielectrics containing them, and electro-optical indicator element MERCK PATENT GmbH (DE) 1982-11-10 — — 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 (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-20120238774-A1 CHARGE TRANSPORT FILM, METHOD FOR PRODUCING THE SAME, AND LIGHT-EMITTING ELEMENT AND PHOTOELECTRIC CONVERSION ELEMENT USING THE SAME PCTP, CDH1, PLTP CYP2A6 2552/4885GRM2 2589/4885TBXA2R 3601/4885

“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.