SCHEMBL24415057

SCHEMBL24415057

CCc1cc2c(c(C(C)(C)C)c1)CCCN2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 1/20 0.38
▸ NUDT1 P36639 5/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ UHRF1 Q96T88 1/20 0.32
▸ HTR1D P28221 1/20 0.30
▸ HTR1B P28222 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
SCHEMBL22435470 0.79 ALDH1A1 (0.38) HSPA5NUDT1KDM4EALDH1A1LMNA
SCHEMBL24415036 0.75 CYP1A2 (0.34) NUDT1UHRF1HTR1DHTR1B
SCHEMBL26254199 0.73 HSPA5 (0.42) HSPA5KDM4EALDH1A1LMNAGAA
SCHEMBL22861180 0.73 HSPA5 (0.42) HSPA5KDM4EALDH1A1LMNAGAA
SCHEMBL14439033 0.72 GRIA1 (0.38) KDM4EALDH1A1LMNATP53GAA
SCHEMBL9910074 0.70 GRIA1 (0.38) NUDT1ALDH1A1TDP1UHRF1
SCHEMBL19678854 0.69 PNMT (0.39) HSPA5
SCHEMBL10226464 0.67 KDM4E (0.46) KDM4EALDH1A1LMNATP53GAA
SCHEMBL4567538 0.66 AR (0.43) KDM4EALDH1A1LMNATP53GAA
SCHEMBL12942080 0.66 ALDH1A1 (0.36) NUDT1KDM4EALDH1A1LMNATP53

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-20220144854-A1 MACROCYCLIC COMPOUNDS ZENO MANAGEMENT, INC. 2022-05-12 — — 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-20220144854-A1 MACROCYCLIC COMPOUNDS MCL1, BCL9, CYC1 HSPA5 4070/4885NUDT1 1999/4885KDM4E 610/4885

“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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