SCHEMBL279560

SCHEMBL279560

CC1(C)C(=O)c2ccccc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.62
ALDH1A1 P00352 5/20 0.55
RECQL P46063 4/20 0.55
ALOX12 P18054 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
MAPK1 P28482 2/20 0.55
CASP1 P29466 2/20 0.55
EHMT2 Q96KQ7 2/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
TSHR P16473 1/20 0.55
CA7 P43166 1/20 0.55
BACE1 P56817 1/20 0.55
CA9 Q16790 1/20 0.55
GSK3B P49841 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
CDC25B P30305 2/20 0.45
MAPT P10636 5/20 0.45
POLB P06746 4/20 0.45

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
SCHEMBL30800362 1.00 TYMS (0.62) TYMSALDH1A1RECQLALOX12L3MBTL1
SCHEMBL13397916 0.83 S100A4 (0.57) TYMSALDH1A1RECQLALOX12L3MBTL1
SCHEMBL11106129 0.81 TYMS (0.45) TYMSALDH1A1RECQLALOX12L3MBTL1
SCHEMBL12856856 0.80 ALDH1A1 (0.67) ALDH1A1RECQLALOX12L3MBTL1MAPK1
SCHEMBL13442834 0.76 ALDH1A1 (0.48) TYMSALDH1A1RECQLALOX12L3MBTL1
SCHEMBL9575837 0.75 RECQL (0.60) ALDH1A1RECQLALOX12L3MBTL1MAPK1
SCHEMBL842406 0.74 PDK2 (0.59) TYMSALDH1A1RECQLCASP1GSK3B
SCHEMBL31397805 0.74 PDK2 (0.59) TYMSALDH1A1RECQLCASP1GSK3B
SCHEMBL2632159 0.74 ALDH1A1 (0.46) TYMSALDH1A1RECQLALOX12L3MBTL1
SCHEMBL29794093 0.74 MMP2 (0.54) ALDH1A1RECQLALOX12L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114246851-A Synthesis method and application of small-molecule inhibitor of histone methyltransferase SMYD3 澳门科技大学 2022-03-29 CN claimed
CN-105693608-B 2, 2-dimethyl-1, 3-indene dione derivatives and organic electroluminescent devices based thereon 中国科学院理化技术研究所 2019-01-04 CN claimed
CN-105693608-A 2, 2-dimethyl-1, 3-indene dione derivatives and organic electroluminescent devices based thereon 中国科学院理化技术研究所 2016-06-22 CN claimed
CN-114246851-B Synthesis method and application of histone methyltransferase SMYD3 small molecule inhibitor 澳门科技大学 2024-01-26 CN disclosed
US-11352500-B2 Squaraine-based molecules as material for organic photoelectric conversion layers in organic photodiodes SONY CORPORATION (JP) 2022-06-07 US disclosed
CN-114246851-A Synthesis method and application of small-molecule inhibitor of histone methyltransferase SMYD3 澳门科技大学 2022-03-29 CN disclosed
CN-105693608-B 2, 2-dimethyl-1, 3-indene dione derivatives and organic electroluminescent devices based thereon 中国科学院理化技术研究所 2019-01-04 CN disclosed
US-9822201-B2 Reflective particle, particle dispersion liquid, display medium, and display device FUJIFILM CORPORATION (JP) 2017-11-21 US disclosed
US-9822201-B2 Reflective particle, particle dispersion liquid, display medium, and display device FUJIFILM CORPORATION (JP) 2017-11-21 US disclosed
US-20170305846-A1 2,2' -DIAMINOBIARYLS HAVING A PHTHALOYL GROUP OR SUCCINOYL GROUP EVONIK DEGUSSA GMBH (DE) 2017-10-26 US disclosed
US-20170282169-A1 ALUMINUM CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-10-05 US disclosed
US-20070257234-A1 Stabilization of Organic Materials CIBA CORPORATION 2007-11-08 US disclosed
US-20070257234-A1 Stabilization of Organic Materials CIBA CORPORATION 2007-11-08 US disclosed
WO-2007117982-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 WO disclosed
EP-0537808-B1 Photosensitive recording material AGFA GEVAERT NV (BE) 1996-11-06 EP disclosed
US-5306587-A With vinyl nitrile dye as charge transport compound AGFA-GEVAERT, N.V. (BE) 1994-04-26 US disclosed
EP-0572727-A1 Photosensitive recording material AGFA-GEVAERT N.V. (BE) 1993-12-08 EP disclosed
US-5248579-A Ketone charge transfer compounds and photoconductors AGFA-GEVAERT, N.V. (BE) 1993-09-28 US disclosed
EP-0537808-A1 Photosensitive recording material AGFA-GEVAERT N.V. (BE) 1993-04-21 EP disclosed
EP-0402980-A1 Electrophotographic recording material AGFA-GEVAERT N.V. (BE) 1990-12-19 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 (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-20170282169-A1 ALUMINUM CATALYST ACSL6, ACSL3, HACL2 TYMS 4674/4885ALDH1A1 319/4885RECQL 3420/4885
US-20070257234-A1 Stabilization of Organic Materials LPO, SOD1, GPX1 TYMS 1031/4885ALDH1A1 6/4885RECQL 435/4885
US-20170305846-A1 2,2' -DIAMINOBIARYLS HAVING A PHTHALOYL GROUP OR SUCCINOYL GROUP SUCLA2, SPATS2L, SUCLG2 TYMS 2714/4885ALDH1A1 673/4885RECQL 3210/4885

“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.