SCHEMBL24252037

SCHEMBL24252037

CCCC(C)(C)c1cc(C(=O)OC)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
MGLL Q99685 3/20 0.47
KMT2A Q03164 4/20 0.46
CNR2 P34972 2/20 0.46
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MDH1 P40925 1/20 0.43
MDH2 P40926 1/20 0.43
MEN1 O00255 3/20 0.43
ATM Q13315 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL5027170 0.82 MAPT (0.58) MAPTKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL3673470 0.79 RARA (0.54) MAPTMGLLCNR2CYP3A4KDM4E
SCHEMBL9453202 0.79 SMN1; SMN2 (0.53) MAPTMGLLKMT2ACNR2SMN1; SMN2
SCHEMBL7792653 0.78 TSHR (0.50) CNR2LMNACA12CA1CA2
SCHEMBL7943054 0.77 CNR2 (0.48) MAPTMGLLKMT2ACNR2MEN1
SCHEMBL2470879 0.77 NOTUM (0.62) MAPTKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9132226 0.77 PLA2G4B (0.51) CNR2CA12CA1CA2CA7
SCHEMBL8090921 0.77 PLA2G4B (0.51) CNR2CA12CA1CA2CA7
SCHEMBL9485696 0.76 CNR2 (0.48) MAPTMGLLCNR2CYP3A4KDM4E
SCHEMBL9485704 0.76 MAPK1 (0.50) MAPTCNR2CYP3A4KDM4ETSHR

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-20220048915-A1 Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2022-02-17 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-20220048915-A1 Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof MAPK11, WEE1, NOS1 MAPT 4194/4885MGLL 4286/4885KMT2A 3961/4885

“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.