SCHEMBL193456

SCHEMBL193456

O=C(C(c1ccccc1)C1CCCCC1)C(c1ccccc1)C1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1E P28566 3/20 0.63
S1PR3 Q99500 3/20 0.63
LMNA P02545 3/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
MAPT P10636 1/20 0.63
CHRM3 P20309 4/20 0.60
CYP3A4 P08684 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
TSHR P16473 2/20 0.54
CHRM2 P08172 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD1 P21728 1/20 0.54
SLC6A2 P23975 1/20 0.54
ADRA1A P35348 1/20 0.54
OPRM1 P35372 1/20 0.54
DRD3 P35462 1/20 0.54

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
SCHEMBL28373611 0.98 HTR1E (0.65) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL1156417 0.90 HTR1E (0.54) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL12531975 0.89 HTR1E (0.63) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL67219 0.89 HTR1E (0.63) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL10298827 0.87 LMNA (0.58) HTR1ES1PR3LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL11526873 0.87 HTR1E (0.61) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL9780781 0.87 HTR1E (0.61) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL28622389 0.86 HTR1E (0.65) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL69127 0.86 HTR1E (0.65) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL14453324 0.85 MEN1 (0.59) HTR1ES1PR3LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179343-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-07-15 US claimed
WO-2008121074-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-10-09 WO claimed
EP-2714411-B1 METHODS FOR THERMAL PRINTING OF PHOTONIC CRYSTAL MATERIALS, AND THERMALLY PRINTABLE PHOTONIC CRYSTAL MATERIALS AND ASSEMBLIES OPALUX INCORPORATED (CA) 2019-04-10 EP disclosed
US-9726783-B2 Methods and systems for thermal printing of photonic crystal materials, and thermally printable photonic crystal materials and assemblies OPALUX INCORPORATED (CA) 2017-08-08 US disclosed
US-9599515-B2 Temperature-responsive photonic crystal device OPALUX INCORPORATED (US) 2017-03-21 US disclosed
US-20140193649-A1 Methods and Systems for Thermal Printing of Photonic Crystal Materials, and Thermally Printable Photonic Crystal Materials and Assemblies OPALUX INCORPORATED (CA) 2014-07-10 US disclosed
US-20130116438-A1 IRIDIUM COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-09 US disclosed
WO-2012162805-A1 METHODS AND SYSTEMS FOR THERMAL PRINTING OF PHOTONIC CRYSTAL MATERIALS, AND THERMALLY PRINTABLE PHOTONIC CRYSTAL MATERIALS AND ASSEMBLIES OPALUX INCORPORATED (CA) 2012-12-06 WO disclosed
US-20120044970-A1 Temperature-Responsive Photonic Crystal Device OPALUX INCORPORATED (CA) 2012-02-23 US disclosed
EP-2401594-A1 TEMPERATURE-RESPONSIVE PHOTONIC CRYSTAL DEVICE Opalux Incorporated (CA) 2012-01-04 EP disclosed
WO-2010096936-A1 TEMPERATURE-RESPONSIVE PHOTONIC CRYSTAL DEVICE OPALUX INCORPORATED (CA) 2010-09-02 WO disclosed
US-7732544-B2 Titanium compound and process for producing optically active cyanohydrins MITSUI CHEMICALS, INC. (JP) 2010-06-08 US disclosed
EP-1806336-B1 TITANIUM COMPOUND AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRINS MITSUI CHEMICALS INC (JP) 2009-09-30 EP disclosed
WO-2008121074-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-10-09 WO disclosed
US-20070265463-A1 Titanium Compound and Process for Producing Optically Active Cyanohydrins MITSUI CHEMICALS, INC. (JP) 2007-11-15 US disclosed
EP-1806336-A1 TITANIUM COMPOUND AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRINS Mitsui Chemicals, Inc. (JP) 2007-07-11 EP disclosed
US-6156940-A Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 2000-12-05 US disclosed
EP-0713848-B1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY (JP) 1999-09-08 EP disclosed
US-5831132-A REDUCING AGENT FROM BORANES AND AMINO ALCOHOLS SUMIKA FINE CHEMICALS COMPANY, LTD. (JP) 1998-11-03 US disclosed
EP-0713848-A1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS Company, Limited (JP) 1996-05-29 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-20100179343-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE TDO2, AOX1, DAO HTR1E 1929/4885S1PR3 3295/4885LMNA 3219/4885
US-20130116438-A1 IRIDIUM COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND PPIP5K2, INF2, IMPDH2 HTR1E 2947/4885S1PR3 3370/4885LMNA 4866/4885
US-20070265463-A1 Titanium Compound and Process for Producing Optically Active Cyanohydrins WNT1, C3AR1, TDO2 HTR1E 3240/4885S1PR3 4144/4885LMNA 4117/4885

“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.