SCHEMBL148267

SCHEMBL148267

COc1c(C)cc(C)c(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
ACHE P22303 1/20 0.40
AGXT P21549 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TUBB1 Q9H4B7 1/20 0.34
CYP3A4 P08684 2/20 0.33
MAPT P10636 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CA9 Q16790 1/20 0.33
PKM P14618 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
CYP19A1 P11511 2/20 0.32
NQO2 P16083 1/20 0.32

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
SCHEMBL5454389 0.83 ACHE (0.40) ALDH1A1ACHEAGXTSMN1; SMN2TDP1
SCHEMBL5566891 0.82 ACHE (0.43) ALDH1A1ACHEAGXTSMN1; SMN2TDP1
SCHEMBL12793109 0.82 PTPN1 (0.42) ALDH1A1ACHETUBB1CYP3A4
SCHEMBL1635426 0.81 ACHE (0.50) ALDH1A1ACHEPOLBTDP1TUBB1
SCHEMBL13338225 0.81 ACHE (0.39) ALDH1A1ACHEAGXTPOLBRAB9A
SCHEMBL12326160 0.81 ALDH1A1 (0.42) ALDH1A1ACHEAGXTPOLBRAB9A
SCHEMBL29793476 0.81 ACHE (0.50) ALDH1A1ACHEPOLBTDP1TUBB1
SCHEMBL8254929 0.79 ACHE (0.46) ALDH1A1ACHESMN1; SMN2TDP1TUBB1
SCHEMBL14458264 0.79 ACHE (0.54) ALDH1A1ACHEPOLBTDP1TUBB1
Iodide SCHEMBL8935417 0.79 ACHE (0.48) ALDH1A1ACHEPOLBTDP1TUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426115-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-04-23 US claimed
US-20110033803-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-02-10 US claimed
US-20100159392-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-06-24 US claimed
WO-2019071428-A1 COMPOUND, PHOTOPOLYMERIZATION INITIATOR, PHOTOCURABLE COMPOSITION AND CURED PRODUCT THEREOF, AND PHOTOCURABLE INK AND PRINT USING THE SAME DIC CORPORATION (JP) 2019-04-18 WO disclosed
US-20180208579-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2018-07-26 US disclosed
US-10028377-B2 Resin composition, prepreg and metal foil-clad laminate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-07-17 US disclosed
US-20180193341-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2018-07-12 US disclosed
US-9925188-B2 DNA-PK inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-03-27 US disclosed
US-9878993-B2 DNA-PK inhibitors for treatment of cancer VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-01-30 US disclosed
US-20170258789-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-14 US disclosed
US-9743515-B2 Resin composition, prepreg and metal-foil-clad laminate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2017-08-22 US disclosed
US-20070265423-A1 Bifunctional phenylene ether oligomer, its derivatives, its use and process for the production thereof AMAGAI AKIKAZU 2007-11-15 US disclosed
US-20070232730-A1 Polyphenylene ether oligomer sulfonic acid salt, making method, flame retardant resin composition, and molded article SHIN-ETSU CHEMICAL CO., LTD. 2007-10-04 US disclosed
US-7276563-B2 Polyphenylene ether oligomer compound, derivatives thereof and use thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-10-02 US disclosed
US-7247682-B2 Bifunctional phenylene ether oligomer, its derivatives, its use and process for the production thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-07-24 US disclosed
US-7247682-B2 Bifunctional phenylene ether oligomer, its derivatives, its use and process for the production thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-07-24 US disclosed
US-20070129502-A1 Polyphenylene ethers; improved chemical resistance, dielectric, low water-absorption, heat resistance, flame retardance, and mechanical properties; laminates NIPPON STEEL CHEMICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-7193030-B2 Acid anhydride and polyimide using the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-03-20 US disclosed
US-7192651-B2 Resin composition and prepreg for laminate and metal-clad laminate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-03-20 US disclosed
US-7193019-B2 Process for the production of vinyl compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-03-20 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 (4 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-20070265423-A1 Bifunctional phenylene ether oligomer, its derivatives, its use and process for the production thereof DUOX2, DUOX1, PAOX ALDH1A1 2332/4885ACHE 1707/4885AGXT 917/4885
US-20170258789-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK ALDH1A1 2935/4885ACHE 4363/4885AGXT 1950/4885
US-20180193341-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK ALDH1A1 2935/4885ACHE 4363/4885AGXT 1950/4885
US-20180208579-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK ALDH1A1 2935/4885ACHE 4363/4885AGXT 1950/4885

“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.