SCHEMBL21916954

SCHEMBL21916954

CCOC(=O)CCn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ CREBBP Q92793 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TNF P01375 6/20 0.38
▸ KAT2B Q92831 1/20 0.38
▸ LIPG Q9Y5X9 5/20 0.36
▸ LPL P06858 4/20 0.36
▸ UCHL1 P09936 1/20 0.35
▸ P4HB P07237 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL21916943 0.93 TNF (0.43) TNF
SCHEMBL21916914 0.88 KMT2A (0.41) LMNAKMT2ALIPGLPLUCHL1
SCHEMBL16465393 0.81 LIPG (0.47) LIPGLPL
SCHEMBL506042 0.79 LIPG (0.40) LIPGLPLP4HB
SCHEMBL25432068 0.79 ALDH1A1 (0.36) LIPGLPLP4HBALDH1A1
SCHEMBL21217742 0.78 KDM4E (0.41) LMNAMEN1KMT2ALIPGLPL
SCHEMBL506778 0.78 LPL (0.46) LIPGLPL
SCHEMBL506428 0.77 LPL (0.38) LIPGLPL
SCHEMBL21730386 0.77 LIPG (0.38) LIPGLPLP4HB
SCHEMBL15205597 0.76 TNF (0.45) CREBBPMEN1KMT2ATNFALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717730-B1 Dihydroisoquinoline compound SUZHOU ARK BIOPHARMACEUTICAL CO., LTD. (CN) 2020-07-21 — — US disclosed
US-20200207755-A1 DIHYDROISOQUINOLINE COMPOUND SUZHOU ARK BIOPHARMACEUTICAL CO., LTD. (CN) 2020-07-02 — — US disclosed
US-10647712-B2 Dihydroisoquinoline compound SUZHOU ARK BIOPHARMACEUTICAL CO., LTD. (CN) 2020-05-12 — — 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 (3 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-10647712-B2 Dihydroisoquinoline compound HAVCR2, GLS2, GOT2 LMNA 3026/4885CREBBP 1397/4885MEN1 2896/4885
US-20200207755-A1 DIHYDROISOQUINOLINE COMPOUND GLS2, GOT1, GOT2 LMNA 2335/4885CREBBP 1154/4885MEN1 3782/4885
US-10717730-B1 Dihydroisoquinoline compound GLS2, GOT1, GOT2 LMNA 2335/4885CREBBP 1154/4885MEN1 3782/4885

“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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