SCHEMBL24936211

SCHEMBL24936211

CC(C)c1cn(CC2CCCO2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.48
▸ WDR5 P61964 1/20 0.41
▸ ALDH1A1 P00352 8/20 0.40
▸ TSHR P16473 4/20 0.40
▸ CYP1A2 P05177 6/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HSD17B10 Q99714 5/20 0.37
▸ CASP1 P29466 3/20 0.37
▸ CASP7 P55210 3/20 0.37

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
SCHEMBL24496393 0.83 TP53 (0.33) KDM4C
SCHEMBL24496052 0.83 TP53 (0.33) KDM4C
SCHEMBL24501908 0.83 TP53 (0.33) KDM4C
Hydrochloric Acid SCHEMBL23389288 0.77 KDM4C (0.50) KDM4CWDR5ALDH1A1TSHRCYP1A2
Hydrochloric Acid SCHEMBL23389291 0.77 KDM4C (0.50) KDM4CWDR5ALDH1A1TSHRCYP1A2
SCHEMBL23389314 0.72 KDM4C (0.49) KDM4CWDR5ALDH1A1TSHRCYP1A2
SCHEMBL25617367 0.71 KDM4E (0.40) ALDH1A1TSHRCYP1A2CYP2C19KMT2A
SCHEMBL25859573 0.71 KDM4E (0.40) ALDH1A1TSHRCYP1A2CYP2C19KMT2A
SCHEMBL22185811 0.71 KDM2B (0.49) KDM4C
SCHEMBL12090058 0.70 ALDH1A1 (0.41) ALDH1A1TSHRCYP1A2CYP2C19KMT2A

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-20230022304-A1 WDR5-MYC INHIBITORS VANDERBILT UNIVERSITY 2023-01-26 — — 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-20230022304-A1 WDR5-MYC INHIBITORS MYC, WDR5, MYCBP KDM4C 1517/4885WDR5 2/4885ALDH1A1 3982/4885

“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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