Sugi Predict

Sugi Predict / Compounds / SCHEMBL4803479

SCHEMBL4803479

SCHEMBL4803479

CCCCC[C@H]1CC[C@H](C2CCC(CCc3ccc(F)c(F)c3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C8 P10632 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ BCHE P06276 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33

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
SCHEMBL8771230 1.00 CYP3A4 (0.39) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL4803500 1.00 CYP3A4 (0.39) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL4803508 1.00 CYP3A4 (0.39) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL8771408 0.96 SLC6A2 (0.38) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL8015266 0.96 SLC6A2 (0.38) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL8015260 0.96 SLC6A2 (0.38) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL8015254 0.96 SLC6A2 (0.38) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL7510169 0.96 CYP3A4 (0.41) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL7754624 0.96 CYP3A4 (0.41) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL9398648 0.94 CYP3A4 (0.39) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7445818-B2 Matrix liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-11-04 — — US disclosed
US-20070275182-A1 Matrix liquid crystal display WEBER GEORG 2007-11-29 — — US disclosed
US-7186447-B2 Two plane parallel support plates with frame form cell, with integrated non-linear elements for switching individual picture elements on support plates, and nematic liquid crystal mixture is present in cell, having positive dielectric anisotropy and high resistivity MERCK PATENT GMBH (DE) 2007-03-06 — — US disclosed
US-20050196551-A1 Matrix liquid crystal display WEBER GEORG (DE) 2005-09-08 — — US disclosed
US-6905740-B2 The invention relates to a matrix liquid crystal display containing integrated non-linear elements and a liquid crystal mixture which has a particularly high resistivity. MERCK PATENT GMBH (DE) 2005-06-14 — — US disclosed
EP-1149885-B1 Cyclohexane derivatives, liquid crystal compositions comprising the same and liquid crystal display devices CHISSO CORP (JP) 2004-09-22 — — EP disclosed
US-20030207046-A1 Matrix liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2003-11-06 — — US disclosed
US-6562419-B1 Matrix liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2003-05-13 — — US disclosed
US-6500503-B2 Liquid crystal compound containing fluoro substituted benzene ring CHISSO CORPORATION (JP) 2002-12-31 — — US disclosed
US-20020066888-A1 Cyclohexane derivatives, liquid crystal compositions comprising the same and liquid crystal display devices JNC PETROCHEMICAL CORPORATION (JP) 2002-06-06 — — US disclosed
WO-1991002779-A1 LIQUID CRYSTALLINE MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-03-07 — — WO disclosed
EP-0414048-A2 Matrix-liquid crystal display MERCK PATENT GmbH (DE) 1991-02-27 — — EP disclosed
EP-0394419-A1 MATRIX LIQUID CRYSTAL DISPLAY. MERCK PATENT GMBH (DE) 1990-10-31 — — EP disclosed
EP-0393636-A2 Liquid crystal composition and liquid crystal display using said composition CHISSO CORPORATION (JP) 1990-10-24 — — EP disclosed
WO-1990004623-A1 MATRIX LIQUID CRYSTAL DISPLAY MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-05-03 — — WO disclosed
EP-0365962-A1 Matrix-type liquid-crystal display MERCK PATENT GmbH (DE) 1990-05-02 — — EP disclosed
US-4917819-A Cyclohexane derivative and liquid crystal composition containing same CHISSO CORPORATION (JP) 1990-04-17 — — US disclosed
EP-0205998-B1 CYCLOHEXANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING SAME Chisso Corporation (JP) 1990-02-28 — — EP disclosed
US-4797228-A Cyclohexane derivative and liquid crystal composition containing same CHISSO CORPORATION (JP) 1989-01-10 — — US disclosed
EP-0205998-A1 Cyclohexane derivative and liquid crystal composition containing same Chisso Corporation (JP) 1986-12-30 — — 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-20020066888-A1 Cyclohexane derivatives, liquid crystal compositions comprising the same and liquid crystal display devices SCO2, KLK1, HCN2 CYP3A4 3454/4885CYP2C8 3521/4885CYP2D6 3095/4885

“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.