SCHEMBL3799734

SCHEMBL3799734

COc1ccc(COCC(C)(C)C=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.46
AGXT P21549 2/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
APP P05067 3/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL4889465 0.81 TSHR (0.50) IDO1AGXTPOLBKDM4ECA1
SCHEMBL18552992 0.80 IDO1 (0.53) IDO1AGXTLMNATDP1CA1
SCHEMBL16085924 0.80 IDO1 (0.53) IDO1AGXTLMNATDP1CA1
SCHEMBL3883446 0.79 ALDH1A1 (0.45) LMNAKDM4ETDP1NPC1CA1
SCHEMBL11404883 0.79 ALDH1A1 (0.46) IDO1AGXTLMNATDP1NPC1
SCHEMBL1734823 0.77 IDO1 (0.50) IDO1AGXTLMNAPOLBTDP1
SCHEMBL25780343 0.77 IDO1 (0.40) IDO1AGXTLMNAPOLBKDM4E
Formic Acid SCHEMBL6366129 0.77 IDO1 (0.53) IDO1AGXTPOLBTDP1NPC1
SCHEMBL25688877 0.76 ALDH1A1 (0.36) LMNAPOLBGAACA1CA2
SCHEMBL23222113 0.76 IDO1 (0.48) IDO1AGXTLMNATDP1CA1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118525018-A Bialkyne compound and application thereof 上海艾力斯医药科技股份有限公司 2024-08-20 CN disclosed
WO-2023116779-A1 DIALKYNE COMPOUND AND USE THEREOF 上海艾力斯医药科技股份有限公司 2023-06-29 WO disclosed
WO-2023116779-A1 DIALKYNE COMPOUND AND USE THEREOF 上海艾力斯医药科技股份有限公司 2023-06-29 WO disclosed
CN-111763198-B Preparation method of 5-substituted cyclopropyl formylaminoindole derivative 新发药业有限公司 2021-09-07 CN disclosed
EP-3009426-B1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMA CO LTD (JP) 2018-05-02 EP disclosed
US-9855257-B2 4-alkynyl imidazole derivative and medicine comprising same as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2018-01-02 US disclosed
US-20170128431-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMACEUTICAL CO., LTD. (JP) 2017-05-11 US disclosed
US-9593081-B2 4-alkynyl imidazole derivative and medicine comprising same as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2017-03-14 US disclosed
US-20160130232-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-05-12 US disclosed
EP-3009426-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT Kaken Pharmaceutical Co., Ltd. (JP) 2016-04-20 EP disclosed
WO-2010117425-A1 CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE BIOGEN IDEC MA INC. (US) 2010-10-14 WO disclosed
US-4564476-A Aryl fatty acid leukotriene synthesis inhibitors MCNEILAB, INC. (US) 1986-01-14 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 (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-20160130232-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT PTGER4, IL4, PTGER1 IDO1 233/4885AGXT 3990/4885LMNA 4524/4885
US-20170128431-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT PTGER4, IL4, PTGER1 IDO1 222/4885AGXT 4239/4885LMNA 4292/4885

“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.