SCHEMBL23327795

SCHEMBL23327795

COc1ncc(F)cc1C1(NC(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.38
HDAC4 P56524 4/20 0.36
SSTR4 P31391 1/20 0.35
AGBL2 Q5U5Z8 1/20 0.35
BACE1 P56817 1/20 0.35
GRM5 P41594 1/20 0.34
GPR6 P46095 1/20 0.33
HDAC3 O15379 5/20 0.33
HDAC1 Q13547 5/20 0.33
HDAC2 Q92769 5/20 0.33
HDAC6 Q9UBN7 5/20 0.33
ABL1 P00519 1/20 0.32
RAF1 P04049 2/20 0.32
BRAF P15056 2/20 0.32
GPBAR1 Q8TDU6 1/20 0.32

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
SCHEMBL30082704 0.89 SSTR4 (0.38) POLQHDAC4SSTR4BACE1GRM5
SCHEMBL30433944 0.79 POLQ (0.35) POLQHDAC4SSTR4AGBL2BACE1
SCHEMBL21408257 0.79 POLQ (0.35) POLQHDAC4SSTR4AGBL2BACE1
SCHEMBL21408280 0.74 SSTR4 (0.36) POLQHDAC4SSTR4BACE1GRM5
SCHEMBL30434411 0.73 POLQ (0.34) POLQHDAC4SSTR4BACE1GRM5
SCHEMBL21408269 0.73 POLQ (0.34) POLQHDAC4SSTR4BACE1GRM5
SCHEMBL21408267 0.72 PIK3CA (0.35) POLQBACE1
SCHEMBL30433680 0.72 PIK3CA (0.35) POLQBACE1
SCHEMBL16703963 0.71 POLQ (0.42) POLQSSTR4AGBL2GRM5GPR6
SCHEMBL21408268 0.69 RAF1 (0.35) BACE1RAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11555042-B2 Macrocyclic compounds as TRK kinases inhibitors FOCHON BIOSCIENCES, LTD. (CN) 2023-01-17 US disclosed
US-20210139506-A1 MACROCYCLIC COMPOUNDS AS TRK KINASES INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-05-13 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 (2 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-20210139506-A1 MACROCYCLIC COMPOUNDS AS TRK KINASES INHIBITORS PLK2, ERBB3, DMPK POLQ 1580/4885HDAC4 831/4885SSTR4 1892/4885
US-11555042-B2 Macrocyclic compounds as TRK kinases inhibitors PLK2, ERBB3, DMPK POLQ 1580/4885HDAC4 831/4885SSTR4 1892/4885

“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.