SCHEMBL23005256

SCHEMBL23005256

CC(C)CC(O)C#Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ APP P05067 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.39
▸ AOC3 Q16853 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ ANPEP P15144 1/20 0.36
▸ LAP3 P28838 1/20 0.36

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
SCHEMBL2569114 0.80 LMNA (0.48) HTR2ALMNAKMT2AFFAR1APP
SCHEMBL28769055 0.79 HTR2A (0.42) HTR2ALMNAKMT2AFFAR1APP
SCHEMBL28769054 0.79 HTR2A (0.42) HTR2ALMNAKMT2AFFAR1APP
SCHEMBL2311776 0.77 APP (0.50) HTR2ALMNAKMT2AFFAR1APP
SCHEMBL1657802 0.77 APP (0.50) HTR2ALMNAKMT2AFFAR1APP
SCHEMBL1657799 0.77 APP (0.50) HTR2ALMNAKMT2AFFAR1APP
SCHEMBL614604 0.77 KMT2A (0.42) HTR2ALMNAKMT2AFFAR1APP
SCHEMBL13962950 0.76 LMNA (0.40) HTR2ALMNAKMT2AFFAR1APP
SCHEMBL31605811 0.76 CYP1A2 (0.48) HTR2ALMNAKMT2AFFAR1APP
SCHEMBL12003637 0.76 MMP12 (0.43) HTR2ALMNAKMT2AAPPAOC3

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-11174275-B2 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use DREXEL UNIVERSITY (US) 2021-11-16 — — US disclosed
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
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 HTR2A 2066/4885LMNA 1905/4885KMT2A 2539/4885
US-20210054003-A1 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use HSD17B7, CYP4A22, PPOX HTR2A 2066/4885LMNA 1905/4885KMT2A 2539/4885

“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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