SCHEMBL1961978

SCHEMBL1961978

CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)O)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 2/20 0.46
PLG P00747 1/20 0.46
PLAT P00750 1/20 0.46
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 2/20 0.44
CCR2 P41597 1/20 0.43
ALOX5 P09917 1/20 0.39
ANPEP P15144 1/20 0.38
ENPEP Q07075 1/20 0.38

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
SCHEMBL4159836 1.00 PKM (0.51) PKMTP53HTTMEN1KMT2A
SCHEMBL4159828 1.00 PKM (0.51) PKMTP53HTTMEN1KMT2A
SCHEMBL1961977 1.00 PKM (0.51) PKMTP53HTTMEN1KMT2A
SCHEMBL27748051 0.98 TP53 (0.54) PKMTP53HTTMEN1KMT2A
SCHEMBL27480731 0.98 TP53 (0.54) PKMTP53HTTMEN1KMT2A
SCHEMBL27480730 0.98 TP53 (0.54) PKMTP53HTTMEN1KMT2A
SCHEMBL9746896 0.98 TP53 (0.54) PKMTP53HTTMEN1KMT2A
SCHEMBL9578611 0.98 TP53 (0.54) PKMTP53HTTMEN1KMT2A
SCHEMBL9578607 0.98 TP53 (0.54) PKMTP53HTTMEN1KMT2A
SCHEMBL27748100 0.98 TP53 (0.54) PKMTP53HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0285617-B1 LIQUID CRYSTAL PHASE MERCK PATENT GmbH (DE) 1991-12-27 EP claimed
EP-4528369-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT Nissan Chemical Corporation (JP) 2025-03-26 EP disclosed
CN-111286343-A Bis-difluoromethoxy bridged biphenyl liquid crystal compound substituted by bis-fluorine-containing group as well as preparation method and application thereof 华南师范大学 2020-06-16 CN disclosed
US-9441164-B2 Isosorbide derivative, liquid crystal composition, liquid crystal element, and liquid crystal display device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-09-13 US disclosed
EP-3045971-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2016-07-20 EP disclosed
EP-2199270-B1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2016-05-25 EP disclosed
EP-2652553-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-04-06 EP disclosed
US-20150034868-A1 ISOSORBIDE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL ELEMENT, AND LIQUID CRYSTAL DISPLAY DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-02-05 US disclosed
US-8580142-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
EP-2652553-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2013-10-23 EP disclosed
US-5536442-A ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-16 US disclosed
EP-0394906-B1 Liquid crystalline composition MERCK PATENT GMBH (DE) 1995-12-20 EP disclosed
US-5389292-A Liquid crystalline media having positive dielctric anisotropy, chemical, heat and radiation resistance, used as electro-optical displaying MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
US-5348677-A Electro-optical liquid crystal display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-20 US disclosed
US-5279764-A Dihalogenobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed
US-5209868-A Liquid crystal medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-05-11 US disclosed
US-5196140-A ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-03-23 US disclosed
US-4664840-A DIELECTRIC ANISOTROPY Merck, E. (DE) 1987-05-12 US disclosed
US-4617140-A Bicyclohexyl derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-14 US disclosed
US-4526704-A Esters containing phenylene and cyclohexylene rings HOFFMANN-LA ROCHE INC. (US) 1985-07-02 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-20150034868-A1 ISOSORBIDE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL ELEMENT, AND LIQUID CRYSTAL DISPLAY DEVICE AR, NR3C2, RCC2 PKM 3255/4885TP53 2936/4885HTT 4133/4885

“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.