SCHEMBL10076560

SCHEMBL10076560

CCCOC(=O)c1ccc(OC(C)(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
TSHR P16473 3/20 0.62
ESR1 P03372 2/20 0.62
CHRM1 P11229 1/20 0.62
SLC6A2 P23975 1/20 0.62
KDR P35968 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
STS P08842 7/20 0.59
LMNA P02545 3/20 0.59
RAB9A P51151 1/20 0.55
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP2D6 P10635 1/20 0.54
MAPK1 P28482 1/20 0.54
NR1H2 P55055 1/20 0.54
RNASEL Q05823 1/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP3A4 P08684 1/20 0.53

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
SCHEMBL14985549 0.92 ESR1 (0.66) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL11506065 0.86 CA12 (0.59) ALDH1A1TSHRESR1TDP1STS
SCHEMBL755227 0.85 LMNA (0.45) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL49950 0.84 ALDH1A1 (0.84) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL18589824 0.83 ALDH1A1 (0.66) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL14982613 0.83 TSHR (0.50) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL13564260 0.83 TSHR (0.50) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL6892391 0.82 CA12 (0.54) ALDH1A1ESR1TDP1STSLMNA
SCHEMBL27647510 0.82 ALDH1A1 (0.81) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL28758641 0.82 ALDH1A1 (0.81) ALDH1A1TSHRESR1CHRM1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9737644-B2 Medical device coatings TYRX, INC. (US) 2017-08-22 US disclosed
US-9737644-B2 Medical device coatings TYRX, INC. (US) 2017-08-22 US disclosed
US-9490144-B2 Quaternary ammonium salt compound, composition for forming a resist under layer film, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-11-08 US disclosed
US-20160276152-A1 PATTERNING PROCESS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-09-22 US disclosed
US-9312127-B2 Method for producing semiconductor apparatus substrate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-12 US disclosed
US-20160096977-A1 COMPOSITION FOR FORMING A COATING TYPE SILICON-CONTAINING FILM, SUBSTRATE, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-07 US disclosed
US-20160008521-A1 NOVEL MEDICAL DEVICE COATINGS MEDTRONIC, INC. 2016-01-14 US disclosed
US-20150357204-A1 QUATERNARY AMMONIUM SALT COMPOUND, COMPOSITION FOR FORMING A RESIST UNDER LAYER FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-12-10 US disclosed
US-9176382-B2 Composition for forming titanium-containing resist underlayer film and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-11-03 US disclosed
US-9155735-B2 Medical device coatings TYRX, INC. (US) 2015-10-13 US disclosed
US-20140273447-A1 COMPOSITION FOR FORMING TITANIUM-CONTAINING RESIST UNDERLAYER FILM AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-18 US disclosed
US-20140273448-A1 COMPOSITION FOR FORMING TITANIUM-CONTAINING RESIST UNDERLAYER FILM AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-18 US disclosed
US-20140205951-A1 THERMAL CROSSLINKING ACCELERATOR, POLYSILOXANE-CONTAINING RESIST UNDERLAYER FILM FORMING COMPOSITION CONTAINING SAME, AND PATTERNING PROCESS USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-07-24 US disclosed
US-8759220-B1 Patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-06-24 US disclosed
US-20130284699-A1 PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-10-31 US disclosed
US-20130210236-A1 SILICON-CONTAINING SURFACE MODIFIER, RESIST UNDERLAYER FILM COMPOSITION CONTAINING THIS, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-08-15 US disclosed
US-20130005150-A1 COMPOSITION FOR FORMING RESIST UNDERLAYER FILM AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-01-03 US disclosed
US-20120052292-A1 NOVEL MEDICAL DEVICE COATINGS TYRX PHARMA, INC. (US) 2012-03-01 US disclosed
US-20120052292-A1 NOVEL MEDICAL DEVICE COATINGS TYRX PHARMA, INC. (US) 2012-03-01 US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 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 (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-20120052292-A1 NOVEL MEDICAL DEVICE COATINGS TLR5, TLR4, TLR3 ALDH1A1 2935/4885TSHR 4125/4885ESR1 464/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 ALDH1A1 391/4885TSHR 116/4885ESR1 3081/4885
US-20150357204-A1 QUATERNARY AMMONIUM SALT COMPOUND, COMPOSITION FOR FORMING A RESIST UNDER LAYER FILM, AND PATTERNING PROCESS ASH2L, ARL1, ASH1L ALDH1A1 2141/4885TSHR 3194/4885ESR1 1215/4885

“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.