SCHEMBL27448149

SCHEMBL27448149

COc1cc(C)nc(C(C)C)c1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
SMPD3 Q9NY59 1/20 0.36
CRHR1 P34998 1/20 0.35
POLB P06746 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
SLC10A2 Q12908 1/20 0.33
HSP90AA1 P07900 2/20 0.33
P2RX3 P56373 2/20 0.31
P2RX2 Q9UBL9 2/20 0.31
HSP90AB1 P08238 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL27439444 0.82 SLC10A2 (0.39) PDE3BPDE3ASMPD3POLBALDH1A1
SCHEMBL25561193 0.81 MAPT (0.37) MAPTPDE3BPDE3ACRHR1POLB
SCHEMBL13438497 0.75 CYP1A2 (0.33) MAPTPOLBALDH1A1KDM4EKMT2A
SCHEMBL18999986 0.74 POLB (0.30) POLB
SCHEMBL11890405 0.72 NQO2 (0.41) MAPTSMPD3POLBALDH1A1NPC1
SCHEMBL10280848 0.72 POLB (0.35) MAPTPDE3BPDE3ASMPD3CRHR1
SCHEMBL11332514 0.70 PDE3B (0.43) MAPTPDE3BPDE3APOLBALDH1A1
SCHEMBL11436443 0.70 ACHE (0.54) PDE3BPDE3APOLBALDH1A1GAA
SCHEMBL22623125 0.69 RECQL (0.40) PDE3BPDE3ASMPD3POLBALDH1A1
SCHEMBL27326054 0.69 NOS3 (0.35)

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-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 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-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF KDM1A, TET1, KDM3A MAPT 138/4885PDE3B 3892/4885PDE3A 3223/4885

“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.