SCHEMBL30948523

SCHEMBL30948523

Cn1ccc(C2CCCCC2)c(-c2ccccc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ PTGS2 P35354 1/20 0.37
▸ CREBBP Q92793 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ CAMKK1 Q8N5S9 1/20 0.36
▸ CAMKK2 Q96RR4 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ MAT2A P31153 2/20 0.35
▸ KCNA3 P22001 1/20 0.35
▸ PADI4 Q9UM07 1/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ PARP1 P09874 1/20 0.34

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
SCHEMBL27865683 0.73 POLB (0.46) ALDH1A1PTGS2HPGDPTGDR2
SCHEMBL18136496 0.71 BRD4 (0.49) ALDH1A1KDM4ESMN1; SMN2GAAALOX15
SCHEMBL15717101 0.69 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2GAAALOX15
SCHEMBL13685103 0.68 PTGS2 (0.49) ALDH1A1SMN1; SMN2PTGS2PTGDR2MEN1
SCHEMBL8774870 0.68 PTGDR2 (0.47) ALDH1A1KDM4ESMN1; SMN2CAMKK1CAMKK2
SCHEMBL30215707 0.67 MEN1 (0.45) PTGS2PTGDR2MEN1KMT2A
SCHEMBL28136045 0.67 PTPN5 (0.41) KDM4EPTGS2GAAPTGDR2
SCHEMBL18134415 0.67 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2GAAALOX15
SCHEMBL25799378 0.67 POLB (0.41) ALDH1A1KDM4EPTGS2GAAHPGD
SCHEMBL11126671 0.67 PDCD1 (0.42) ALDH1A1KDM4ESMN1; SMN2PTGS2HPGD

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-20240245681-A1 HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBO PHARMACEUTICATS CO LTD (CN) 2024-07-25 — — 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-20240245681-A1 HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN1, PTPN5, PTPN2 ALDH1A1 2877/4885KDM4E 685/4885SMN1; SMN2 1939/4885

“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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