SCHEMBL60105

SCHEMBL60105

CC(c1ccccc1-c1ccccc1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PRCP P42785 1/20 0.38
IDO1 P14902 2/20 0.38
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
PTPRC P08575 1/20 0.36
PTPRF P10586 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL19423175 0.84 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8732914 0.83 PRCP (0.43) ALDH1A1MEN1KMT2ANPSR1PRCP
SCHEMBL28169156 0.82 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7460833 0.80 HIF1A (0.38) ALDH1A1NPSR1GAAL3MBTL1IDO1
SCHEMBL16191227 0.78 GAA (0.39) ALDH1A1CYP3A4LMNAGAAL3MBTL1
SCHEMBL17892465 0.77 MEN1 (0.38) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL28003862 0.77 CA12 (0.43) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16191091 0.77 KDM4E (0.44) KMT2AGAAL3MBTL1IDO1SLC6A2
SCHEMBL4739711 0.76 CA12 (0.42) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11146962 0.74 ADRA2A (0.39) GAAL3MBTL1IDO1ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602562-B2 High dielectric anisotropy and clearing point with little impact on voltage holding ratio, low temperature stability and response time MERCK PATENT GESELLSCHAFT MIT (DE) 2003-08-05 US claimed
US-20030113482-A1 Realignment layer; field has a component parallel to the liquid-crystal layer; positive dielectric anisotropy MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2003-06-19 US claimed
EP-0408995-B1 Liquid crystal medium with limited temperature-dependence of the d/p coefficient MERCK PATENT GMBH (DE) 1995-11-08 EP claimed
EP-0408995-A2 Liquid crystal medium with limited temperature-dependence of the d/p coefficient MERCK PATENT GmbH (DE) 1991-01-23 EP claimed
CN-104926765-B 4, 6-difluorodibenzofuran derivatives 默克专利股份有限公司 2021-11-30 CN disclosed
US-11174432-B2 2,3-dihydrobenzothiophene derivatives MERCK PATENT GMBH (DE) 2021-11-16 US disclosed
CN-106045953-B Fluorinated dibenzofuran and dibenzothiophene derivatives 默克专利股份有限公司 2021-06-11 CN disclosed
EP-3645662-B1 2,3-DIHYDROBENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2021-03-24 EP disclosed
CN-107075374-B Substituted polyphenyl 默克专利股份有限公司 2020-09-25 CN disclosed
EP-3645662-A1 2,3-DIHYDROBENZOTHIOPHENE DERIVATIVES Merck Patent GmbH (DE) 2020-05-06 EP disclosed
US-20200123444-A1 2,3-DIHYDROBENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2020-04-23 US disclosed
WO-2019052973-A1 DIBENZOFURAN AND DIBENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2019-03-21 WO disclosed
WO-1989010356-A1 PYRIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-11-02 WO disclosed
WO-1989009764-A1 CHIRAL OR ACHIRAL CYCLIC COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-10-19 WO disclosed
WO-1989008689-A1 2,3-DIFLUOROBENZENE DERIVATIVES AND THEIR USE AS COMPONENTS OF LIQUID CRYSTAL MEDIA MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
WO-1989008637-A1 DERIVATIVES OF 2,3-DIFLUOROHYDROQUINONE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
WO-1989008649-A1 HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
WO-1989008687-A1 2,3-DIFLUOROBIPHENYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
EP-0332024-A1 Heterocyclic derivatives of 1,2-difluorobenzene MERCK PATENT GmbH (DE) 1989-09-13 EP disclosed
EP-0332007-A1 Derivatives of 2,3-difluorohydroquinone MERCK PATENT GmbH (DE) 1989-09-13 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 (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-20200123444-A1 2,3-DIHYDROBENZOTHIOPHENE DERIVATIVES DDT, MAGT1, MBTD1 ALDH1A1 425/4885CYP3A4 1694/4885CYP2D6 803/4885
US-11174432-B2 2,3-dihydrobenzothiophene derivatives DDT, MAGT1, MBTD1 ALDH1A1 425/4885CYP3A4 1694/4885CYP2D6 803/4885

“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.