SCHEMBL2046459

SCHEMBL2046459

CCCc1ccc2cc(O)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
CYP1A2 P05177 2/20 0.46
PTPN1 P18031 1/20 0.46
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ESR1 P03372 3/20 0.44
CYP3A4 P08684 3/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44

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
SCHEMBL6685567 0.94 CNR1 (0.52) CNR1CNR2CYP1A2PTPN1NPC1
SCHEMBL29946510 0.88 PTGS2 (0.55) PTPN1NPC1RAB9AESR1CYP3A4
SCHEMBL2048075 0.88 PTGS2 (0.55) PTPN1NPC1RAB9AESR1CYP3A4
SCHEMBL31593166 0.87 CNR1 (0.54) CNR1CNR2CYP1A2NPC1MAPT
SCHEMBL7193556 0.87 CNR1 (0.54) CNR1CNR2CYP1A2NPC1MAPT
SCHEMBL4065606 0.86 PTGS2 (0.63) PTPN1MAPTESR1CYP3A4ADRA2A
SCHEMBL9700041 0.85 PTGS2 (0.67) MAPTESR1CYP3A4ADRA2AADORA3
SCHEMBL2049841 0.85 PTGS2 (0.67) MAPTESR1CYP3A4ADRA2AADORA3
SCHEMBL2050474 0.85 PTGS2 (0.67) MAPTESR1CYP3A4ADRA2AADORA3
SCHEMBL3153673 0.85 ESR1 (0.62) CYP1A2ESR1CYP3A4ESR2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115448862-B Binaphthyl series liquid crystal monomer compound and preparation method and application thereof 中节能万润股份有限公司 2023-01-24 CN disclosed
CN-115448862-A Binaphthyl series liquid crystal monomer compound and preparation method and application thereof 中节能万润股份有限公司 2022-12-09 CN disclosed
WO-2022186312-A1 PROTECTION FILM FORMATION COMPOSITION 日産化学株式会社 2022-09-09 WO disclosed
EP-2557103-B1 EPOXY COMPOUND, CURABLE COMPOSITION, AND CURED PRODUCT THEREOF DAINIPPON INK & CHEMICALS (JP) 2014-11-26 EP disclosed
US-8519065-B2 Epoxy compound, curable composition, and cured product thereof DIC CORPORATION (JP) 2013-08-27 US disclosed
US-20130190497-A1 FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-07-25 US disclosed
US-20130144030-A1 EPOXY COMPOUND, CURABLE COMPOSITION, AND CURED PRODUCT THEREOF DIC CORPORATION (JP) 2013-06-06 US disclosed
EP-2557103-A1 EPOXY COMPOUND, CURABLE COMPOSITION, AND CURED PRODUCT THEREOF DIC Corporation (JP) 2013-02-13 EP disclosed
US-8344080-B2 Catalyst for olefin polymerization and method of preparation thereof WANG LICAI (CN) 2013-01-01 US disclosed
US-8337941-B2 Fluorescent substrates for monoamine transporters as optical false neurotransmitters THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-12-25 US disclosed
EP-1452514-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2010-03-31 EP disclosed
EP-1273562-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2009-07-22 EP disclosed
US-20080161513-A1 Catalyst for Olefin Polymerization and Preparation Thereof and Polymerization Process YINGKOU XIANGYANG CATALYST CO., LTD. (CN) 2008-07-03 US disclosed
US-7145047-B2 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-12-05 US disclosed
EP-0952135-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2005-01-05 EP disclosed
EP-1452514-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-09-01 EP disclosed
US-20030136944-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-07-24 US disclosed
EP-1273562-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-01-08 EP disclosed
US-6468607-B1 MISCIBILITY, LARGE BIREFRINGENCE INDEX, NO STRONGLY POLAR GROUP IN ITS MOLECULE AND THUS CAN ALSO BE USED FOR ACTIVE MATRIX DRIVING, WIDE TEMPERATURE RANGE AND REQUIRES A HIGH SPEED RESPONSE AND A LOW VOLTAGE DRIVING DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-10-22 US disclosed
EP-0952135-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-10-27 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 (3 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-20030136944-A1 Naphthalene derivative and liquid crystal composition comprising the same NLK, NOTCH1, NOTCH4 CNR1 1891/4885CNR2 1584/4885CYP1A2 959/4885
US-20130190497-A1 FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS SLC18A2, SLC6A2, SLC18A3 CNR1 294/4885CNR2 316/4885CYP1A2 1053/4885
US-20130144030-A1 EPOXY COMPOUND, CURABLE COMPOSITION, AND CURED PRODUCT THEREOF HEATR1, EEF1A1, EPN1 CNR1 398/4885CNR2 965/4885CYP1A2 1447/4885

“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.