SCHEMBL27237306

SCHEMBL27237306

COC(=O)C1COCCN1Cc1ccc(C#C[Si](C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.47
MMP8 P22894 4/20 0.47
MMP13 P45452 4/20 0.47
MAOB P27338 1/20 0.43
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CD274 Q9NZQ7 2/20 0.40
PDCD1 Q15116 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.38
MMP9 P14780 3/20 0.38
ENPP2 Q13822 1/20 0.37

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
SCHEMBL27237332 0.86 MAOB (0.45) MMP2MMP8MMP13MAOBCYP3A4
SCHEMBL29241161 0.81 MAOB (0.44) MAOBCYP3A4ALDH1A1KDM4ECD274
Hydrochloric Acid SCHEMBL29927862 0.76 CD274 (0.46) MAOBCYP3A4ALDH1A1KDM4ECD274
SCHEMBL27237214 0.76 KDM4E (0.52) MMP2MMP8MMP13ALDH1A1KDM4E
SCHEMBL27237295 0.75 DRD4 (0.45) MMP2MMP8MMP13
SCHEMBL4746249 0.71 FFAR1 (0.55) MAOB
SCHEMBL4748033 0.71 PPARG (0.54) MAOB
SCHEMBL3020414 0.71 HRH3 (0.57) MMP2MMP8MMP13ALDH1A1SMN1; SMN2
SCHEMBL10263338 0.71 GAA (0.41) MMP13CYP3A4ALDH1A1KDM4ECD274
SCHEMBL337981 0.71 MEN1 (0.53) MAOBALDH1A1KDM4ECD274SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240382465-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2024-11-21 US disclosed
EP-4382527-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2024-06-12 EP disclosed
CN-117769548-A Aromatic acetylene derivative and preparation method and application thereof 浙江海正药业股份有限公司 2024-03-26 CN disclosed
WO-2023011574-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2023-02-09 WO 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 (1 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-20240382465-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF FAR1, ACAD11, ACOX1 MMP2 2381/4885MMP8 1149/4885MMP13 1712/4885

“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.