SCHEMBL10447282

SCHEMBL10447282

N#CCC(O)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
KDM4E B2RXH2 2/20 0.46
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX1 P07099 1/20 0.31
SHBG P04278 1/20 0.31
SLC6A3 Q01959 2/20 0.31
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL28974097 1.00 TP53 (0.48) TP53KDM4EGMNNLMNAMAPT
SCHEMBL28010969 1.00 TP53 (0.48) TP53KDM4EGMNNLMNAMAPT
SCHEMBL4983448 0.98 TP53 (0.52) TP53KDM4EGMNNLMNAMAPT
SCHEMBL27615745 0.95
SCHEMBL27326008 0.90
SCHEMBL27627523 0.88
SCHEMBL4683222 0.80 CPN1 (0.36) TP53SLC6A3
SCHEMBL4683701 0.78 CPN1 (0.42) TP53KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL15195460 0.74 TP53 (0.52) TP53KDM4EGMNNLMNAMAPT
SCHEMBL9580015 0.74 TP53 (0.52) TP53KDM4EGMNNLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117285699-A Solid electrolyte prepolymerization liquid, solid electrolyte and electrochemical device 深圳市贝特瑞新能源技术研究院有限公司 2023-12-26 CN claimed
CN-112852768-B Carbonyl reductase mutant and application thereof 中国科学院天津工业生物技术研究所 2021-10-08 CN claimed
CN-112852768-A Carbonyl reductase mutant and application thereof 中国科学院天津工业生物技术研究所 2021-05-28 CN claimed
CN-117285699-A Solid electrolyte prepolymerization liquid, solid electrolyte and electrochemical device 深圳市贝特瑞新能源技术研究院有限公司 2023-12-26 CN disclosed
CN-115850115-B Ruxolitinib intermediate and preparation method thereof 上海药坦药物研究开发有限公司 2023-08-01 CN disclosed
CN-115850115-A Ruxolitinib intermediate and preparation method thereof 上海药坦药物研究开发有限公司 2023-03-28 CN disclosed
US-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2022-04-21 US disclosed
CN-112852768-B Carbonyl reductase mutant and application thereof 中国科学院天津工业生物技术研究所 2021-10-08 CN disclosed
CN-112852768-B Carbonyl reductase mutant and application thereof 中国科学院天津工业生物技术研究所 2021-10-08 CN disclosed
CN-112852768-A Carbonyl reductase mutant and application thereof 中国科学院天津工业生物技术研究所 2021-05-28 CN disclosed
CN-112852768-A Carbonyl reductase mutant and application thereof 中国科学院天津工业生物技术研究所 2021-05-28 CN disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
CN-102026985-A Quinazoline derivatives as RAF kinase modulators and methods and uses thereof AMBIT BIOSCIENCES CORPORATON 2011-04-20 CN disclosed
CN-101600707-A Urea compounds for the treatment of cancer BAYER PHARMACEUTICALS CORP (US) 2009-12-09 CN disclosed
CN-101553233-A Kinase inhibitors useful for the treatment of myleoproliferative diseases and other proliferative diseases DECIPHERA PHARMACEUTICALS LLC (US) 2009-10-07 CN disclosed
CN-101553232-A Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS LLC (US) 2009-10-07 CN disclosed
CN-100448869-C Anilinopyrazole derivatives for the treatment of diabetes BAYER PHARMACEUTICALS CORP (US) 2009-01-07 CN disclosed
CN-1946715-A Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORP (US) 2007-04-11 CN disclosed
CN-1717401-A Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORP (US) 2006-01-04 CN 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 (2 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-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 TP53 725/4885KDM4E 662/4885GMNN 4465/4885
US-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD TP53 22/4885KDM4E 2024/4885GMNN 696/4885

“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.