SCHEMBL22700686

SCHEMBL22700686

Cc1cc2c(C(C)C)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N/NC(=O)c3ccncc3)c2c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.51
MCL1 Q07820 12/20 0.50
BCL2 P10415 11/20 0.50
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 3/20 0.47
GAA P10253 3/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 3/20 0.47
USP2 O75604 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
BCL2L1 Q07817 2/20 0.47
BCL2L2 Q92843 2/20 0.47
LMNA P02545 2/20 0.47
THRB P10828 2/20 0.47
HPGD P15428 2/20 0.47
ALOX12 P18054 2/20 0.47
MAPK1 P28482 2/20 0.47

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
SCHEMBL22700377 0.82 AKR1B1 (0.57) AKR1B1MCL1BCL2KDM4EMEN1
SCHEMBL22700666 0.76 AKR1B1 (0.53) AKR1B1MCL1BCL2KDM4EMEN1
SCHEMBL17372966 0.75 MCL1 (0.82) AKR1B1MCL1BCL2KDM4EMEN1
SCHEMBL22700655 0.75 AKR1B1 (0.60) AKR1B1MCL1BCL2KDM4EMEN1
SCHEMBL22700495 0.74 MCL1 (0.76) AKR1B1MCL1BCL2KDM4EMEN1
SCHEMBL22700662 0.73 MCL1 (0.62) AKR1B1MCL1BCL2KDM4EMEN1
SCHEMBL22700375 0.72 KDM4E (0.41) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL22700528 0.72 MCL1 (0.60) AKR1B1MCL1BCL2KDM4EMEN1
SCHEMBL22700773 0.72 MCL1 (0.67) AKR1B1MCL1BCL2KDM4EMEN1
SCHEMBL22700661 0.71 AKR1B1 (0.50) AKR1B1MCL1BCL2KDM4EMEN1

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 1151/4885MCL1 3671/4885BCL2 3675/4885

“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.