SCHEMBL20793964

SCHEMBL20793964

Cc1ccc2c(C)coc2c1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MCL1 Q07820 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ THRB P10828 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ KCNA3 P22001 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PON1 P27169 1/20 0.37
▸ NQO1 P15559 1/20 0.37
▸ TP53 P04637 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ PSMB5 P28074 1/20 0.35
▸ CES1 P23141 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
SCHEMBL4419414 0.85 CES1 (0.39) SMN1; SMN2MCL1ALDH1A1TSHRHSD17B10
SCHEMBL21387019 0.80 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1TSHRHPGDHSD17B10
SCHEMBL20793963 0.80 KCNA3 (0.42) SMN1; SMN2ALDH1A1TSHRHSD17B10THRB
SCHEMBL20111022 0.80 HSD17B10 (0.38) SMN1; SMN2MCL1ALDH1A1TSHRHSD17B10
SCHEMBL12279309 0.80 HSD17B10 (0.38) SMN1; SMN2MCL1ALDH1A1TSHRHSD17B10
SCHEMBL20793965 0.77 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1HSD17B10THRBPOLB
SCHEMBL22645760 0.77 SMN1; SMN2 (0.46) SMN1; SMN2MCL1ALDH1A1TSHRHPGD
SCHEMBL16978813 0.74 SMN1; SMN2 (0.47) SMN1; SMN2MCL1ALDH1A1TSHRHPGD
SCHEMBL11976504 0.72 MCL1 (0.55) SMN1; SMN2MCL1ALDH1A1KDM4EPON1
SCHEMBL21591443 0.72 PTPN1 (0.56) SMN1; SMN2MCL1ALDH1A1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3826723-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2023-10-18 — — EP disclosed
EP-3672977-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2022-06-22 — — EP disclosed
WO-2022079290-A2 CULLIN RING UBIQUITIN LIGASE COMPOUNDS AND USES THEREOF CEMM - FORSCHUNGSZENTRUM FÜR MOLEKULARE MEDIZIN GMBH (AT) 2022-04-21 — — WO disclosed
US-20210317145-A1 Boronic Acid Derivatives MERCK PATENT GMBH (DE) 2021-10-14 — — US disclosed
WO-2020020858-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2020-01-30 — — WO disclosed
WO-2019038250-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2019-02-28 — — WO 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-20210317145-A1 Boronic Acid Derivatives PSMB7, PSMA7, BRD7 SMN1; SMN2 980/4885MCL1 549/4885ALDH1A1 3481/4885

“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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