SCHEMBL23005269

SCHEMBL23005269

C=CC[Si](OCC#Cc1ccc(C(=O)OC)cc1)(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.39
▸ MAPT P10636 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34

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
SCHEMBL23005133 0.82 CHRM2 (0.37) ALDH1A1KDM4ECYP1A2TSHRCYP2C19
SCHEMBL23005216 0.80 EGLN1 (0.32) CYP1A2CYP2C9CYP2C19
SCHEMBL23005258 0.80 HTR2A (0.41) MAPTALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL23005173 0.77 SLC6A4 (0.32) —
SCHEMBL4990465 0.69 MMP2 (0.54) PTPN11MAPTALDH1A1TDP1TSHR
SCHEMBL16182177 0.69 PTPN11 (0.54) PTPN11MAPTALDH1A1TDP1HPGD
SCHEMBL69268 0.68 PTPN11 (0.69) PTPN11MAPTALDH1A1TDP1KDM4E
SCHEMBL5071131 0.68 PTPN11 (0.53) PTPN11MAPTALDH1A1TDP1HPGD
SCHEMBL29246790 0.68 PTPN11 (0.53) PTPN11MAPTALDH1A1TDP1KDM4E
SCHEMBL5472171 0.68 LOXL2 (0.56) PTPN11MAPTALDH1A1TDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174275-B2 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use DREXEL UNIVERSITY (US) 2021-11-16 — — US disclosed
US-20210054003-A1 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use DREXEL UNIVERSITY 2021-02-25 — — 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-11174275-B2 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use HSD17B7, CYP4A22, PPOX PTPN11 3954/4885MAPT 4669/4885ALDH1A1 941/4885
US-20210054003-A1 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use HSD17B7, CYP4A22, PPOX PTPN11 3954/4885MAPT 4669/4885ALDH1A1 941/4885

“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.

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