SCHEMBL24126325

SCHEMBL24126325

CC(C)(C)c1cc2[nH]cc(C(C)(C)C)c2c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ DAO P14920 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
SCHEMBL24126317 0.68 HPGD (0.36) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL24126892 0.64 L3MBTL1 (0.36) ALDH1A1
SCHEMBL17403519 0.63 ALDH1A1 (0.40) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL12237556 0.63 ATAD2 (0.52) ALDH1A1GAA
SCHEMBL29331830 0.63 KDM4E (0.55) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL14872275 0.63 KDM4E (0.79) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL31036419 0.61 DAO (0.42) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL1106199 0.61 ADRA1A (0.35) KDM4EALDH1A1DAO
SCHEMBL18689585 0.61 KDM3B (0.46) KDM4EALDH1A1GAA
SCHEMBL21590039 0.61 ALDH1A1 (0.41) KDM4EALDH1A1GLAGAAHPGD

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-20210393623-A1 Novel Heterocyclic Derivatives Useful as SHP2 Inhibitors JACOBIO PHARMACEUTICALS CO LTD (CN) 2021-12-23 — — 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-20210393623-A1 Novel Heterocyclic Derivatives Useful as SHP2 Inhibitors PTPN1, PTPN5, PTPN2 KDM4E 703/4885ALDH1A1 2966/4885GLA 4166/4885

“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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