SCHEMBL652226

SCHEMBL652226

[c]1ccc(C2CC[CH]CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
ESR2 Q92731 6/20 0.35
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
SLC18A3 Q16572 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL22929 0.87
SCHEMBL6578876 0.87 POLB (0.46) POLBESR2ESR1CYP3A4CYP2C9
SCHEMBL21538 0.80 ESR2 (0.42) POLBESR2ESR1CYP3A4CYP2C9
SCHEMBL43455 0.80 ESR2 (0.47) POLBESR2ESR1CYP3A4CYP2C9
SCHEMBL5543159 0.78 CYP11B2 (0.42) POLBESR2ESR1CYP3A4CYP2C9
SCHEMBL22833 0.78 CYP11B2 (0.42) POLBESR2ESR1CYP3A4CYP2C9
SCHEMBL2911926 0.78 CYP11B2 (0.42) POLBESR2ESR1CYP3A4CYP2C9
SCHEMBL10355051 0.78 SLC18A3 (0.54) SLC18A3SIGMAR1
SCHEMBL676555 0.78 CYP11B2 (0.42) POLBESR2ESR1CYP3A4CYP2C9
SCHEMBL1089522 0.76 ESR2 (0.59) POLBESR2ESR1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180112131-A1 LIQUID CRYSTAL MEDIUM, OPTICAL DEVICE AND LIQUID CRYSTAL COMPOUND JNC CORPORATION (JP) 2018-04-26 US claimed
US-20160280996-A1 ALKENYL DIOXANE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-09-29 US claimed
US-8419972-B2 Polymerizable liquid crystal composition JNC CORPORATION (JP) 2013-04-16 US claimed
EP-2351808-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2011-08-03 EP claimed
WO-1999029670-A2 AMINOCARBONYLTETRALIN AND DIHYDRONAPHTALENE DERIVATES AS THROMBIN INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-06-17 WO claimed
EP-0799202-A1 PIPERAZINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME, THEIR USE AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1997-10-08 EP claimed
US-5211877-A Crosslinked resins CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1993-05-18 US claimed
EP-0250961-B1 CHIRAL ESTERS OF ALPHA-SUBSTITUTED PHENYLALKYLIC ACIDS AND MESOGENEOUS HYDROXYL COMPOUNDS, AND THEIR USE AS DOPANTS IN LIQUID-CRYSTAL PHASES HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-22 EP claimed
CN-111253953-B Liquid crystal composition and element for phase control of electromagnetic wave signal 捷恩智株式会社 2024-02-23 CN disclosed
US-20200239775-A1 TETRACYCLIC LIQUID CRYSTAL COMPOUND HAVING DIATOMIC BONDING GROUP AND 2,3-DIFLUOROPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-07-30 US disclosed
US-10633589-B2 Liquid crystal medium, optical device and liquid crystal compound JNC CORPORATION (JP) 2020-04-28 US disclosed
CN-107109226-B Liquid crystal composition and liquid crystal display element 捷恩智株式会社 2020-01-07 CN disclosed
EP-3103856-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2019-09-18 EP disclosed
EP-2698414-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2019-03-13 EP disclosed
EP-1160251-A2 Liquid crystalline compounds having a silane diyl group, liquid crystal compositions comprising the same and liquid crystal display devices CHISSO CORPORATION (JP) 2001-12-05 EP disclosed
WO-1999029670-A2 AMINOCARBONYLTETRALIN AND DIHYDRONAPHTALENE DERIVATES AS THROMBIN INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-06-17 WO disclosed
EP-0799202-A1 PIPERAZINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME, THEIR USE AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1997-10-08 EP disclosed
EP-0250961-B1 CHIRAL ESTERS OF ALPHA-SUBSTITUTED PHENYLALKYLIC ACIDS AND MESOGENEOUS HYDROXYL COMPOUNDS, AND THEIR USE AS DOPANTS IN LIQUID-CRYSTAL PHASES HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-22 EP disclosed
US-4678283-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-07-07 US disclosed
EP-0144013-A2 Thienothiophene derivatives MERCK PATENT GmbH (DE) 1985-06-12 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-20160280996-A1 ALKENYL DIOXANE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, HAX1 POLB 3891/4885ESR2 2418/4885ESR1 1995/4885

“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.