SCHEMBL577961

SCHEMBL577961

CNc1cccc2cc3ccccc3cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 3/20 0.55
MAPT P10636 3/20 0.55
GAA P10253 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
RAB9A P51151 2/20 0.41
EGFR P00533 1/20 0.41
PABPC1 P11940 1/20 0.41
MAPK1 P28482 1/20 0.41
KEAP1 Q14145 1/20 0.41
IDO1 P14902 1/20 0.41
HSD17B10 Q99714 4/20 0.40

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
SCHEMBL16194473 0.85 CYP2A6 (0.48) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL16194486 0.85 CYP2A6 (0.48) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL31597534 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL28691104 0.84 IDO1 (0.50) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL16194360 0.83 CYP1A2 (0.48) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL31346513 0.82 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL3972303 0.82 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL16194226 0.82 CYP1A2 (0.56) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL13705839 0.81 CYP1A2 (0.41) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL16194431 0.80 KEAP1 (0.41) ALDH1A1KDM4EMAPTGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117126487-A Near infrared transmission resin composition and preparation method and application thereof 四川大学 2023-11-28 CN claimed
CN-107793557-A A kind of preparation method and application of Anthraquinones polymer 中国石油化工股份有限公司 2018-03-13 CN claimed
CN-1098899-C Anthrapyridone dye intermediate and production method thereof YABANG GROUP CO JIANGSU PROV (CN) 2003-01-15 CN claimed
CN-1296999-A Anthrapyridone dye intermediate and production method thereof YABANG GROUP CO JIANGSU (CN) 2001-05-30 CN claimed
US-12083498-B2 Chromatographic materials for the separation of unsaturated molecules WATERS TECHNOLOGIES CORPORATION (US) 2024-09-10 US disclosed
CN-111644164-B Chromatographic material for separating unsaturated molecules 沃特世科技公司 2024-03-08 CN disclosed
CN-117126487-A Near infrared transmission resin composition and preparation method and application thereof 四川大学 2023-11-28 CN disclosed
US-20210023531-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES WATERS TECHNOLOGIES CORPORATION (US) 2021-01-28 US disclosed
WO-2019212287-A9 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO disclosed
CN-111644164-A Chromatographic materials for separating unsaturated molecules 沃特世科技公司 2020-09-11 CN disclosed
US-10744484-B2 Chromatographic materials for the separation of unsaturated molecules WATERS TECHNOLOGIES CORPORATION (US) 2020-08-18 US disclosed
CN-106457066-B Chromatographic materials for separating unsaturated molecules 沃特世科技公司 2020-08-14 CN disclosed
WO-2008016858-A1 VOLTAGE SWITCHABLE DIELECTRIC MATERIAL HAVING CONDUCTIVE OR SEMI-CONDUCTIVE ORGANIC MATERIAL SHOCKING TECHNOLOGIES INC (US) 2008-02-07 WO disclosed
US-20080023675-A1 Composition filling the gap between electrodes comprising a binder with conductor particles and antimony oxide (HAR) to adjust as necessary dielectric/conductive properties; packaging; antistatic agents; flexibility; wear resistance; adhesion; heat resistance; dimensional stability LITTELFUSE, INC. 2008-01-31 US disclosed
US-20080004290-A1 Anti-Cancer Agents THE UNIVERSITY OF QUEENSLAND (AU) 2008-01-03 US disclosed
CN-1680394-A Process for producing compound, catalyst component, process for producing catalyst, and process for producing addition polymer SUMITOMO CHEMICAL CO (JP) 2005-10-12 CN disclosed
CN-1196716-C Modified particle, support, catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL CO (JP) 2005-04-13 CN disclosed
CN-1422286-A Modified particle, support, catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL CO (JP) 2003-06-04 CN disclosed
US-4937292-A Photosensitizer Solavchem Enterprises Inc. 1990-06-26 US disclosed
US-4101575-A FUNGICIDES, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1978-07-18 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-20210023531-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES C9, EPHX2, ALOX5 ALDH1A1 1087/4885KDM4E 3640/4885MAPT 4400/4885
US-10744484-B2 Chromatographic materials for the separation of unsaturated molecules C9, EPHX2, ALOX5 ALDH1A1 1087/4885KDM4E 3640/4885MAPT 4400/4885
US-12083498-B2 Chromatographic materials for the separation of unsaturated molecules C9, EPHX2, ALOX5 ALDH1A1 1087/4885KDM4E 3640/4885MAPT 4400/4885
US-20080004290-A1 Anti-Cancer Agents TP53, TOP2A, MCL1 ALDH1A1 152/4885KDM4E 1788/4885MAPT 4667/4885

“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.