SCHEMBL23855046

SCHEMBL23855046

C[Si](C)(C)CCOCn1cc(C=O)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 6/20 0.45
▸ HTT P42858 2/20 0.38
▸ ERN1 O75460 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ CTRB1 P17538 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 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
SCHEMBL23551437 0.81 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL23855061 0.79 NPC1 (0.40) ALDH1A1SMN1; SMN2LMNAMAPTHTT
SCHEMBL23538115 0.79 POLB (0.52) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL3352477 0.78 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL23551502 0.78 CNR2 (0.40) ALDH1A1SMN1; SMN2KMT2ALMNAMAPT
SCHEMBL3705619 0.78 CNR2 (0.37) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL29540761 0.76 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL22777932 0.76 HTR7 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL29714393 0.76 HTR7 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL13057796 0.75 EGFR (0.39) ALDH1A1SMN1; SMN2LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF Ikena Oncology, Inc. 2021-09-30 — — 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 (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-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 ALDH1A1 289/4885SMN1; SMN2 4815/4885KMT2A 1031/4885

“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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