SCHEMBL10000643

SCHEMBL10000643

CCc1c(C)cc(C(C)(C)C)c(O)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 7/20 0.52
LMNA P02545 5/20 0.52
CYP1A2 P05177 4/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2D6 P10635 3/20 0.52
TSHR P16473 3/20 0.52
HTR1A P08908 2/20 0.52
ADRA2A P08913 2/20 0.52
PTGS2 P35354 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
CHRM5 P08912 1/20 0.52
CHRM1 P11229 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
ADRA1D P25100 1/20 0.52
HTR1D P28221 1/20 0.52
HTR1B P28222 1/20 0.52

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
SCHEMBL10814873 0.86 CYP2C19 (0.61) CYP2C19LMNACYP1A2CYP3A4CYP2D6
SCHEMBL30913172 0.85 CYP2C19 (0.52) CYP2C19LMNACYP1A2CYP3A4CYP2D6
SCHEMBL3672873 0.85 CYP2C19 (0.52) CYP2C19LMNACYP1A2CYP3A4CYP2D6
SCHEMBL30913173 0.85 CYP2C19 (0.52) CYP2C19LMNACYP1A2CYP3A4CYP2D6
SCHEMBL11385540 0.83 CYP2C19 (0.51) CYP2C19LMNACYP1A2CYP3A4CYP2D6
SCHEMBL3176330 0.83 CYP2C19 (0.51) CYP2C19LMNACYP1A2CYP3A4CYP2D6
SCHEMBL29824041 0.83 CYP2C19 (0.51) CYP2C19LMNACYP1A2CYP3A4CYP2D6
SCHEMBL9331710 0.83 CYP2C19 (0.58) CYP2C19LMNACYP1A2CYP3A4CYP2D6
SCHEMBL1720100 0.83 CYP2C19 (0.51) CYP2C19LMNACYP1A2CYP3A4CYP2D6
SCHEMBL30913183 0.83 CYP2C19 (0.51) CYP2C19LMNACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827760-B2 Polyester polymer compositions CELANESE SALES GERMANY GMBH (DE) 2023-11-28 US disclosed
US-20220135751-A1 Polyester Polymer Compositions CELANESE SALES GERMANY GMBH (DE) 2022-05-05 US disclosed
US-20200217999-A1 RESIN COMPOSITION, FILM, OPTICAL FILTER, SOLID IMAGE PICKUP ELEMENT, IMAGE DISPLAY DEVICE, AND INFRARED SENSOR FUJIFILM CORPORATION (JP) 2020-07-09 US disclosed
US-20190285783-A1 COMPOSITION, FILM, OPTICAL FILTER, PATTERN FORMING METHOD, SOLID IMAGE PICKUP ELEMENT, IMAGE DISPLAY DEVICE, AND INFRARED SENSOR FUJIFILM CORPORATION (JP) 2019-09-19 US disclosed
US-20180223096-A1 Polyester Polymer Compositions TICONA LLC 2018-08-09 US disclosed
US-20180223096-A1 Polyester Polymer Compositions TICONA LLC 2018-08-09 US disclosed
US-20150299426-A1 Stabilized Thermoplastic Copolyesters TICONA LLC (US) 2015-10-22 US disclosed
US-20150299426-A1 Stabilized Thermoplastic Copolyesters TICONA LLC (US) 2015-10-22 US disclosed
US-20150252228-A1 EPOXY COMPOSITIONS FRX POLYMERS, INC. (US) 2015-09-10 US disclosed
US-20150252228-A1 EPOXY COMPOSITIONS FRX POLYMERS, INC. (US) 2015-09-10 US disclosed
US-20100204354-A1 COMPOSITIONS COMPRISING POLYPHOSPHONATES AND ADDITIVES THAT EXHIBIT AN ADVANTAGEOUS COMBINATION OF PROPERTIES, AND METHODS RELATED THERETO FRX POLYMERS, INC. (US) 2010-08-12 US disclosed
US-20100204354-A1 COMPOSITIONS COMPRISING POLYPHOSPHONATES AND ADDITIVES THAT EXHIBIT AN ADVANTAGEOUS COMBINATION OF PROPERTIES, AND METHODS RELATED THERETO FRX POLYMERS, INC. (US) 2010-08-12 US disclosed
US-7666932-B2 Compositions comprising polyphosphonates and additives that exhibit an advantageous combination of properties, and methods related thereto FRX POLYMERS, INC. (US) 2010-02-23 US disclosed
US-7666932-B2 Compositions comprising polyphosphonates and additives that exhibit an advantageous combination of properties, and methods related thereto FRX POLYMERS, INC. (US) 2010-02-23 US disclosed
US-20090186987-A1 Processing Conditions Of Polyethylene Articles In Course Of Their Manufacture By Melt Processing CLARIANT FINANCE (BVI) LIMITED (VG) 2009-07-23 US disclosed
US-20090186987-A1 Processing Conditions Of Polyethylene Articles In Course Of Their Manufacture By Melt Processing CLARIANT FINANCE (BVI) LIMITED (VG) 2009-07-23 US disclosed
US-7396641-B2 Black and white photothermographic material FUJIFILM CORPORATION (JP) 2008-07-08 US disclosed
WO-2008012319-A1 IMPROVED PROCESSING CONDITIONS OF POLYETHYLENE ARTICLES IN COURSE OF THEIR MANUFACTURE BY MELT PROCESSING CLARIANT INTERNATIONAL LTD (CH) 2008-01-31 WO disclosed
US-20070203269-A1 COMPOSITIONS COMPRISING POLYPHOSPHONATES AND ADDITIVES THAT EXHIBIT AN ADVANTAGEOUS COMBINATION OF PROPERTIES, AND METHODS RELATED THERETO FRX POLYMERS, INC. 2007-08-30 US disclosed
US-20070203269-A1 COMPOSITIONS COMPRISING POLYPHOSPHONATES AND ADDITIVES THAT EXHIBIT AN ADVANTAGEOUS COMBINATION OF PROPERTIES, AND METHODS RELATED THERETO FRX POLYMERS, INC. 2007-08-30 US 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-20070203269-A1 COMPOSITIONS COMPRISING POLYPHOSPHONATES AND ADDITIVES THAT EXHIBIT AN ADVANTAGEOUS COMBINATION OF PROPERTIES, AND METHODS RELATED THERETO PGM2, PICALM, PIK3CA CYP2C19 3711/4885LMNA 1498/4885CYP1A2 3624/4885

“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.