SCHEMBL397105

SCHEMBL397105

CC(C)(C)c1cc(N)c(O)c(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.54
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.50
CA2 P00918 3/20 0.48
CA1 P00915 2/20 0.48
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TYR P14679 1/20 0.46
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 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
SCHEMBL30202118 1.00 HSP90AA1 (0.54) HSP90AA1ALDH1A1MAPTMEN1GAA
SCHEMBL29226894 0.91 HSP90AA1 (0.47) HSP90AA1ALDH1A1MAPTMEN1GAA
SCHEMBL11869415 0.86 ALDH1A1 (0.58) HSP90AA1ALDH1A1MAPTMEN1GAA
Hydrochloric Acid SCHEMBL11869431 0.84 ALDH1A1 (0.56) HSP90AA1ALDH1A1MAPTMEN1GAA
SCHEMBL35141 0.84 CA2 (0.67) HSP90AA1ALDH1A1MAPTMEN1GAA
SCHEMBL12705245 0.80 GAA (0.58) HSP90AA1ALDH1A1MAPTMEN1GAA
SCHEMBL25991128 0.80 CA2 (0.50) HSP90AA1ALDH1A1MAPTMEN1KMT2A
SCHEMBL31217631 0.80 ALDH1A1 (0.44) HSP90AA1ALDH1A1MAPTMEN1GAA
SCHEMBL31217629 0.80 ALDH1A1 (0.44) HSP90AA1ALDH1A1MAPTMEN1GAA
SCHEMBL8986512 0.79 CA2 (0.61) HSP90AA1ALDH1A1MAPTMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112851712-A Tridentate [ ONO ] tungsten coordination compound and optical application thereof 晨茵科创(天津)有限公司 2021-05-28 CN claimed
EP-3053992-A1 Biodiesel LANXESS Deutschland GmbH (DE) 2016-08-10 EP claimed
WO-2024016107-A1 EFFICIENT PHOSPHORUS-CONTAINING REACTIVE FLAME RETARDANT HAVING IMPROVED STRENGTH AND TOUGHNESS AND PREPARATION METHOD THEREFOR, AND FLAME-RETARDANT THERMOSETTING RESIN 重庆交通大学 2024-01-25 WO disclosed
EP-3924447-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2024-01-24 EP disclosed
EP-4306614-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2024-01-17 EP disclosed
CN-113164941-B Catalyst system comprising a metathesis catalyst and at least one phenolic compound and method for metathesis of nitrile rubber (NBR) using the catalyst system 阿朗新科德国有限责任公司 2023-12-12 CN disclosed
EP-3980510-B1 LIQUID CRYSTAL MIXTURE AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2023-11-08 EP disclosed
EP-4249570-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2023-09-27 EP disclosed
EP-3877485-B1 LIQUID CRYSTAL MEDIA COMPRISING POLYMERISABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-09-06 EP disclosed
EP-4056667-B1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-08-02 EP disclosed
EP-4219656-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS Merck Patent GmbH (DE) 2023-08-02 EP disclosed
US-7312284-B2 Process for producing polar olefin copolymer and polar olefin copolymer obtained thereby MITSUI CHEMICALS, INC. (JP) 2007-12-25 US disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
WO-2007052838-A1 POLYMER FILM, METHOD FOR PRODUCING POLYMER FILM, OPTICAL FILM AND POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME FUJIFILM CORPORATION (JP) 2007-05-10 WO disclosed
EP-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 EP disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 WO disclosed
EP-0552799-B1 Photosensitive resin composition for flexographic printing plate NIPPON PAINT CO LTD (JP) 1998-05-20 EP disclosed
EP-0552799-A1 Photosensitive resin composition for flexographic printing plate Nippon Paint Co., Ltd. (JP) 1993-07-28 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 (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-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 HSP90AA1 814/4885ALDH1A1 2221/4885MAPT 4847/4885

“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.