SCHEMBL1934965

SCHEMBL1934965

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.46
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2A6 P11509 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MGLL Q99685 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
TBXA2R P21731 1/20 0.33
CYP19A1 P11511 3/20 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
SCHEMBL4650784 1.00 GRM2 (0.46) GRM2TSHRHSD17B10CYP2A6ALDH1A1
SCHEMBL9719633 0.99 GRM2 (0.48) GRM2TSHRHSD17B10CYP2A6ALDH1A1
SCHEMBL9362811 0.99 GRM2 (0.48) GRM2TSHRHSD17B10CYP2A6ALDH1A1
SCHEMBL5348257 0.99 GRM2 (0.48) GRM2TSHRHSD17B10CYP2A6ALDH1A1
SCHEMBL10865557 0.99 GRM2 (0.48) GRM2TSHRHSD17B10CYP2A6ALDH1A1
SCHEMBL8975343 0.99 GRM2 (0.48) GRM2TSHRHSD17B10CYP2A6ALDH1A1
SCHEMBL11290099 0.99 GRM2 (0.48) GRM2TSHRHSD17B10CYP2A6ALDH1A1
SCHEMBL9362814 0.99 GRM2 (0.48) GRM2TSHRHSD17B10CYP2A6ALDH1A1
SCHEMBL10637970 0.96 TSHR (0.47) GRM2TSHRHSD17B10ALDH1A1HRH3
SCHEMBL1934266 0.96 GRM2 (0.41) GRM2TSHRHSD17B10CYP2A6MGLL

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 21 patents — showing the first 20. 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-0332392-B1 Dioxane liquid crystal compounds SHOWA SHELL SEKIYU (JP) 1994-12-07 EP disclosed
EP-0318003-B1 A liquid crystal composition for twist nematic mode CHISSO CORP (JP) 1993-10-20 EP disclosed
US-4923632-A LOW THRESHOLD-VOLTAGE AND TEMPERATURE DEPENDENCY; CYCLOHEXYL-AND FLUORO-SUBSTITUTED BENZENE CHISSO CORPORATION (JP) 1990-05-08 US disclosed
EP-0167912-B1 LIQUID CRYSTAL MIXTURES CONTAINING COMPOUNDS WITH A 4-ALKENYL OR 2Z-ALKENYL LATERAL CHAIN F. HOFFMANN-LA ROCHE AG (CH) 1990-01-03 EP disclosed
EP-0126949-B1 FLUORINE-CONTAINING PYRIMIDINE DERIVATIVES MERCK PATENT GmbH (DE) 1989-09-27 EP disclosed
EP-0332392-A2 Dioxane liquid crystal compounds Showa Shell Sekiyu Kabushiki Kaisha (JP) 1989-09-13 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-0167912-A2 Liquid crystal mixtures containing compounds with a 4-alkenyl or 2Z-alkenyl lateral chain F. HOFFMANN-LA ROCHE AG (CH) 1986-01-15 EP disclosed
EP-0126949-A2 Fluorine-containing pyrimidine derivatives MERCK PATENT GmbH (DE) 1984-12-05 EP 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 GRM2 2589/4885TSHR 4347/4885HSD17B10 3518/4885

“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.