SCHEMBL22700783

SCHEMBL22700783

CC(=O)Oc1c(O)cc2c(O)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C(O)O)c4c3O)c(C)cc2c1C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 12/20 0.54
▸ LDHA P00338 2/20 0.54
▸ LDHB P07195 2/20 0.54
▸ MCL1 Q07820 7/20 0.52
▸ BCL2 P10415 6/20 0.52
▸ BCL2L1 Q07817 2/20 0.52
▸ BCL2L2 Q92843 2/20 0.52
▸ ALB P02768 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ USP2 O75604 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ THRB P10828 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ ALOX12 P18054 2/20 0.48

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
SCHEMBL22700785 0.88 ALB (0.68) AKR1B1LDHALDHBMCL1BCL2
SCHEMBL22700394 0.86 MCL1 (0.69) AKR1B1LDHALDHBMCL1BCL2
SCHEMBL22700782 0.83 MCL1 (0.53) AKR1B1LDHALDHBMCL1BCL2
SCHEMBL22700781 0.74 ALB (0.67) AKR1B1LDHALDHBMCL1BCL2
SCHEMBL22700373 0.74 MCL1 (0.60) AKR1B1LDHALDHBMCL1BCL2
SCHEMBL1150308 0.73 MCL1 (0.76) AKR1B1LDHALDHBMCL1BCL2
SCHEMBL22700384 0.73 MCL1 (0.71) AKR1B1LDHALDHBMCL1BCL2
SCHEMBL30143382 0.73 MCL1 (0.69) AKR1B1LDHALDHBMCL1BCL2
SCHEMBL30143506 0.72 MCL1 (0.77) AKR1B1LDHALDHBMCL1BCL2
SCHEMBL14959261 0.72 MCL1 (0.77) AKR1B1LDHALDHBMCL1BCL2

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-20200369618-A1 ASYMMETRIC DERIVATIVES OF POLYPHENOLS OF THE DINAPHTHALINE SERIES, PROCESS OF PREPARING AND USE THEREOF Nearmedic International Limited (CY) 2020-11-26 — — 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-20200369618-A1 ASYMMETRIC DERIVATIVES OF POLYPHENOLS OF THE DINAPHTHALINE SERIES, PROCESS OF PREPARING AND USE THEREOF DNM2, DNM1, MAVS AKR1B1 1151/4885LDHA 2403/4885LDHB 2319/4885

“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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