SCHEMBL21744527

SCHEMBL21744527

CC(C)(C)[Si](C)(C)OCC1=C(CN2C(=O)c3ccccc3C2=O)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 2/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CASP3 P42574 1/20 0.38
ACHE P22303 1/20 0.37
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL7981998 0.79 RECQL (0.45) MAPTRECQLKMT2AALDH1A1PKM
SCHEMBL5208485 0.76 KMT2A (0.48) MAPTRECQLKMT2AALDH1A1PKM
SCHEMBL16881234 0.75 MAPT (0.41) MAPTRECQLKMT2AALDH1A1PKM
SCHEMBL12903756 0.73 HPGD (0.51) MAPTKMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL3825680 0.72 HSD17B10 (0.44) MAPTRECQLKMT2AALDH1A1PKM
SCHEMBL21744778 0.72 ALDH1A1 (0.46) MAPTRECQLKMT2AALDH1A1PKM
SCHEMBL21744775 0.72 ALDH1A1 (0.46) KMT2AALDH1A1PKMMEN1KDM4E
SCHEMBL4119825 0.70 MAPT (0.55) MAPTKMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL780238 0.70 CHRM2 (0.48) MAPTRECQL
SCHEMBL17493276 0.69 MAPT (0.50) MAPTKMT2AALDH1A1MEN1TSHR

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-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2023-04-13 US disclosed
US-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto EMORY UNIVERSITY 2020-02-20 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-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 MAPT 3787/4885RECQL 2449/4885KMT2A 4253/4885
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 MAPT 3787/4885RECQL 2449/4885KMT2A 4253/4885

“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.