SCHEMBL456207

SCHEMBL456207

[C]1[C]c2ccccc2CC1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
HTR2C P28335 1/20 0.32
CES1 P23141 1/20 0.30

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
SCHEMBL21267 0.75
SCHEMBL1374665 0.75
SCHEMBL20477815 0.73 TSHR (0.38) TSHRHTR2CCES1
SCHEMBL327799 0.69 TSHR (0.43) TSHRHTR2CCES1
SCHEMBL31251596 0.69 TSHR (0.43) TSHRHTR2CCES1
SCHEMBL8912020 0.69 TSHR (0.43) TSHRHTR2CCES1
SCHEMBL11095966 0.69 TSHR (0.43) TSHRHTR2CCES1
SCHEMBL1751341 0.69 TSHR (0.43) TSHRHTR2CCES1
SCHEMBL3884 0.67 TSHR (0.48) TSHRHTR2C
SCHEMBL286696 0.67 TSHR (0.48) TSHRHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999892-B2 Liquid crystal composition, liquid crystal display element and compound DIC CORPORATION (JP) 2024-06-04 US claimed
CN-112662404-B Liquid crystal composition, liquid crystal display element, and polymerizable compound DIC株式会社 2024-05-03 CN claimed
US-20230131540-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT AND COMPOUND DIC CORPORATION (JP) 2023-04-27 US claimed
CN-113698298-A Polymerizable compound and liquid crystal composition using same DIC株式会社 2021-11-26 CN claimed
CN-113493694-A Compound, liquid crystal composition and liquid crystal display element DIC株式会社 2021-10-12 CN claimed
CN-113174269-A Polymerizable compound-containing liquid crystal composition and liquid crystal display element using same DIC株式会社 2021-07-27 CN claimed
CN-113025345-A Liquid crystal composition containing polymerizable compound and liquid crystal display element DIC株式会社 2021-06-25 CN claimed
CN-112789344-A Polymerizable compound-containing liquid crystal composition, liquid crystal display element, and polymerizable compound DIC株式会社 2021-05-11 CN claimed
CN-112662404-A Liquid crystal composition, liquid crystal display element, and polymerizable compound DIC株式会社 2021-04-16 CN claimed
CN-112080290-A Liquid crystal composition containing polymerizable compound and liquid crystal display element DIC株式会社 2020-12-15 CN claimed
EP-2975023-B1 GUANIDINOBENZOIC ACID ESTER COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-05-30 EP claimed
US-9969709-B2 Guanidinobenzoic acid ester compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-15 US claimed
US-9828548-B2 Liquid-crystal composition DIC CORPORATION (JP) 2017-11-28 US claimed
US-20160031847-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND ASTELLAS PHARMA INC. (JP) 2016-02-04 US claimed
EP-2975023-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND Astellas Pharma Inc. (JP) 2016-01-20 EP claimed
US-20150259600-A1 LIQUID-CRYSTAL COMPOSITION DIC CORPORATION (JP) 2015-09-17 US claimed
EP-2860236-A1 LIQUID-CRYSTAL COMPOSITION DIC Corporation (JP) 2015-04-15 EP claimed
US-20140327862-A1 FERROELECTRIC LIQUID CRYSTAL COMPOSITION AND FERROELECTRIC LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2014-11-06 US claimed
EP-2423182-A1 DIACYLETHYLENEDIAMINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP claimed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20160031847-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND SERPINB1, REN, SPINT2 TSHR 1073/4885HTR2C 3564/4885CES1 355/4885
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 TSHR 4189/4885HTR2C 2559/4885CES1 74/4885

“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.