SCHEMBL17348471

SCHEMBL17348471

Cc1ccc2c(c1C)NCC(C)(C)O2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ KMT2A Q03164 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL17344744 0.80 KDM4E (0.33) KDM4E
SCHEMBL17026974 0.70 KDM4E (0.35) KDM4E
SCHEMBL430140 0.68 HSD17B10 (0.50) KDM4EKMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL13036175 0.67 ADRA2A (0.54) KDM4EKMT2AHSD17B10MEN1ALOX15
SCHEMBL17027090 0.66 KDM4E (0.37) KDM4EALDH1A1
SCHEMBL12654494 0.66 KDM4E (0.34) KDM4E
SCHEMBL13543883 0.64 KDM4E (0.39) KDM4EKMT2AHSD17B10MEN1ALDH1A1
SCHEMBL17348514 0.64 ADRA2A (0.44) KDM4EKMT2AHSD17B10MEN1ALOX15
SCHEMBL1555141 0.64 GAA (0.40) KDM4EKMT2AHSD17B10MEN1ALDH1A1
SCHEMBL3586235 0.63 MAPT (0.49) KDM4EKMT2AHSD17B10MEN1ALDH1A1

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
EP-2952503-B1 CARBOXYLIC ACID DERIVATIVES AS HIV REPLICATION INHIBITOR SHIONOGI & CO (JP) 2019-10-23 — — EP disclosed
US-20150361093-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2015-12-17 — — 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-20150361093-A1 HIV REPLICATION INHIBITOR RTF2, REV1, PCNA KDM4E 546/4885KMT2A 1031/4885HSD17B10 2053/4885

“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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