SCHEMBL7588248

SCHEMBL7588248

CCc1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.55
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ PLK1 P53350 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ RXRA P19793 1/20 0.46
▸ RXRB P28702 1/20 0.46
▸ SLC7A5 Q01650 1/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42

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
SCHEMBL7708759 0.88 KMT2A (0.52) ALDH1A1CA12CA1CA2CA9
SCHEMBL109451 0.87 CA1 (0.61) ALDH1A1CA12CA1CA2CA9
SCHEMBL13891334 0.87 PLK1 (0.51) ALDH1A1CA12CA1CA2CA9
Ethylbenzene SCHEMBL16673245 0.87 SLC7A5 (0.55) ALDH1A1CA12CA1CA2CA9
SCHEMBL7385067 0.86 CA1 (0.50) ALDH1A1CA12CA1CA2CA9
SCHEMBL1019092 0.86 CA1 (0.50) CA12CA1CA2CA9CA14
SCHEMBL16617577 0.86 CA1 (0.50) ALDH1A1CA12CA1CA2CA9
SCHEMBL8024736 0.85 CA1 (0.49) ALDH1A1CA12CA1CA2CA9
SCHEMBL1919683 0.85 CA1 (0.50) ALDH1A1CA12CA1CA2CA9
SCHEMBL21580234 0.85 CA1 (0.49) ALDH1A1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411390-A1 MODULATION OF BACTERIAL QUORUM SENSING WITH SYNTHETIC LIGANDS WISCONSIN ALUMNI RES FOUND (US) 2022-12-29 — — US disclosed
WO-2021242923-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2021-12-02 — — WO disclosed
WO-2019160940-A1 GLUCAGON RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INCORPORATED (US) 2019-08-22 — — WO disclosed
WO-2019079569-A1 COMPOSITIONS AND METHODS FOR SELECTIVE PROTEIN DEGRADATION NOVARTIS AG (CH) 2019-04-25 — — WO disclosed
US-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES Universitätsklinikum Jena (DE) 2017-07-27 — — US disclosed
EP-3153501-A1 GLUCAGON ANTAGONISTS Metabasis Therapeutics, Inc. (US) 2017-04-12 — — EP disclosed
WO-2017008681-A1 AMIDE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 浙江海正药业股份有限公司 2017-01-19 — — WO disclosed
US-9519216-B2 Positive photosensitive resin compositions FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2016-12-13 — — US disclosed
US-9519216-B2 Positive photosensitive resin compositions FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2016-12-13 — — US disclosed
EP-1757582-B1 ARYLALKYLAMINES AND PROCESS FOR PRODUCTION THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-30 — — EP disclosed
US-20090111050-A1 Novel Photosensitive Resin Compositions FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. 2009-04-30 — — US disclosed
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof BRISTOL-MYERS SQUIBB COMPANY 2008-11-27 — — US disclosed
US-7384937-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-06-10 — — US disclosed
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-09-27 — — US disclosed
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-09-27 — — US disclosed
US-20070099111-A1 Novel positive photosensitive polybenzoxazole precursor compositions FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. 2007-05-03 — — US disclosed
US-20070099111-A1 Novel positive photosensitive polybenzoxazole precursor compositions FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. 2007-05-03 — — US disclosed
EP-0844269-B1 BLOCK COPOLYMER HAVING FUNCTIONAL GROUPS AT BOTH ENDS KATAOKA KAZUNORI (JP) 2002-10-23 — — EP disclosed
US-5929177-A LIVING POLYMER WITH HYDROPHILIC, HYDROPHOBIC SEGMENTS Kataoka, Kazunori (JP) 1999-07-27 — — US disclosed
EP-0844269-A1 BLOCK POLYMER HAVING FUNCTIONAL GROUPS AT BOTH ENDS Kataoka, Kazunori (JP) 1998-05-27 — — 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 (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-20220411390-A1 MODULATION OF BACTERIAL QUORUM SENSING WITH SYNTHETIC LIGANDS AHCYL1, EBPL, AIP ALDH1A1 2885/4885CA12 3158/4885CA1 3457/4885
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same CASR, CNR1, CNR2 ALDH1A1 3487/4885CA12 1721/4885CA1 1346/4885
US-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES HDAC6, HDAC5, HDAC4 ALDH1A1 839/4885CA12 596/4885CA1 691/4885
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof MCL1, FPR1, LTB4R ALDH1A1 603/4885CA12 4474/4885CA1 3654/4885

“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.

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