SCHEMBL493845

SCHEMBL493845

C=C(C)C(=O)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.42
PKM P14618 1/20 0.41
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
KMT2A Q03164 4/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
MEN1 O00255 3/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39

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
Ammonia Solution, Strong SCHEMBL9252460 0.98 ALDH1A1 (0.46) ALDH1A1GAAPKMF2PRSS1
SCHEMBL11761813 0.91 ALDH1A1 (0.44) ALDH1A1GAAPKMF2PRSS1
SCHEMBL1453922 0.84 ELANE (0.44) ALDH1A1KMT2ALMNAMAPT
SCHEMBL20414059 0.83 GAA (0.39) ALDH1A1GAAPKMKMT2ACA1
SCHEMBL29245723 0.82 ELANE (0.42) ALDH1A1KMT2ALMNAMAPT
SCHEMBL7319789 0.81 ALDH1A1 (0.50) ALDH1A1GAAF2PRSS1PRSS2
SCHEMBL443434 0.81 ALDH1A1 (0.53) ALDH1A1GAAPKMF2PRSS1
SCHEMBL27938625 0.81 ALDH1A1 (0.33) ALDH1A1PKMLMNAPOLBMAPT
SCHEMBL6834981 0.81 ALDH1A1 (0.46) ALDH1A1GAAPKMF2PRSS1
SCHEMBL6834979 0.81 ALDH1A1 (0.46) ALDH1A1GAAPKMF2PRSS1

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-8859183-B2 N-acyl-β-lactam derivative, macromolecular compound, and photoresist composition KURARAY CO., LTD. (JP) 2014-10-14 US disclosed
US-8791288-B2 Acid-labile ester monomer having spirocyclic structure, polymer, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-07-29 US disclosed
US-8753794-B2 N-acyl-β-lactam derivative, macromolecular compound, and photoresist composition KURARAY CO., LTD. (JP) 2014-06-17 US disclosed
US-20140038106-A1 N-ACYL-B-LACTAM DERIVATIVE, MACROMOLECULAR COMPOUND, AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2014-02-06 US disclosed
US-8546587-B2 Method for producing acrylate derivative, acrylate derivative, and intermediate thereof KURARAY CO., LTD. (JP) 2013-10-01 US disclosed
US-8541606-B2 Tertiary alcohol derivative, polymer compound and photoresist composition KURARAY CO., LTD. (JP) 2013-09-24 US disclosed
US-8431722-B2 Acrylate ester derivatives and polymer compounds KURARAY CO., LTD. (JP) 2013-04-30 US disclosed
US-8362169-B2 Acrylate ester derivatives and polymer compounds KURARAY CO., LTD. (JP) 2013-01-29 US disclosed
US-20130005990-A1 METHOD FOR PRODUCING ACRYLATE DERIVATIVE, ACRYLATE DERIVATIVE, AND INTERMEDIATE THEREOF KURARAY CO., LTD. (JP) 2013-01-03 US disclosed
US-20120316349-A1 ACRYLATE ESTER DERIVATIVES AND POLYMER COMPOUNDS KURARAY CO., LTD. (JP) 2012-12-13 US disclosed
US-20120148954-A1 N-ACYL-B-LACTAM DERIVATIVE, MACROMOLECULAR COMPOUND, AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2012-06-14 US disclosed
US-20120149921-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2012-06-14 US disclosed
US-8105746-B2 Tertiary alcohol derivative, polymer compound and photoresist composition KURARAY CO., LTD. (JP) 2012-01-31 US disclosed
US-20110060112-A1 ACRYLATE ESTER DERIVATIVES AND POLYMER COMPOUNDS KURARAY CO., LTD. (JP) 2011-03-10 US disclosed
US-20110009643-A1 METHOD FOR PRODUCING ACRYLATE DERIVATIVE, ACRYLATE DERIVATIVE, AND INTERMEDIATE THEREOF KURARAY CO., LTD. (JP) 2011-01-13 US disclosed
US-7867690-B2 Tertiary alcohol derivative, polymer compound and photoresist composition KURARAY CO., LTD. (JP) 2011-01-11 US disclosed
US-20100304295-A1 ACID-LABILE ESTER MONOMER HAVING SPIROCYCLIC STRUCTURE, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-12-02 US disclosed
US-20090035700-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2009-02-05 US disclosed
US-20090029290-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2009-01-29 US disclosed
EP-1992650-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION Kuraray Co., Ltd. (JP) 2008-11-19 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 (9 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-20090029290-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION ADH1A, ADH1C, ADH5 ALDH1A1 247/4885GAA 4736/4885PKM 598/4885
US-20120148954-A1 N-ACYL-B-LACTAM DERIVATIVE, MACROMOLECULAR COMPOUND, AND PHOTORESIST COMPOSITION COASY, ARCN1, CLTB ALDH1A1 3234/4885GAA 3242/4885PKM 3166/4885
US-20120149921-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION ADH1A, ADH1C, ADH5 ALDH1A1 66/4885GAA 4748/4885PKM 663/4885
US-20130005990-A1 METHOD FOR PRODUCING ACRYLATE DERIVATIVE, ACRYLATE DERIVATIVE, AND INTERMEDIATE THEREOF ACR, ADH1A, ALAD ALDH1A1 13/4885GAA 3265/4885PKM 3120/4885
US-20120316349-A1 ACRYLATE ESTER DERIVATIVES AND POLYMER COMPOUNDS ADH1A, ADH1C, ADH5 ALDH1A1 7/4885GAA 4687/4885PKM 2584/4885
US-20110060112-A1 ACRYLATE ESTER DERIVATIVES AND POLYMER COMPOUNDS RAD51, LBR, RPLP0 ALDH1A1 2980/4885GAA 3061/4885PKM 2621/4885
US-20110009643-A1 METHOD FOR PRODUCING ACRYLATE DERIVATIVE, ACRYLATE DERIVATIVE, AND INTERMEDIATE THEREOF ACR, ADH1A, ALAD ALDH1A1 13/4885GAA 3265/4885PKM 3120/4885
US-20090035700-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION ADH1A, ADH1C, CCNT1 ALDH1A1 337/4885GAA 4602/4885PKM 892/4885
US-20100304295-A1 ACID-LABILE ESTER MONOMER HAVING SPIROCYCLIC STRUCTURE, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS COASY, DHCR24, HCAR1 ALDH1A1 404/4885GAA 2716/4885PKM 1312/4885

“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.