SCHEMBL23031990

SCHEMBL23031990

Cc1ccccc1C(C(=O)C(C)(C)C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL23031987 0.89 ESR1 (0.42) ACP3L3MBTL1POLBALDH1A1HSP90AA1
SCHEMBL28118975 0.84 KMT2A (0.47) L3MBTL1KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL409758 0.83 POLB (0.50) L3MBTL1POLBKDM4EALDH1A1HTT
SCHEMBL23032196 0.83 ACP3 (0.47) ACP3L3MBTL1POLBKDM4EALDH1A1
SCHEMBL7073828 0.82 ACP3 (0.53) ACP3L3MBTL1POLBKDM4EALDH1A1
SCHEMBL3630774 0.82 ACP3 (0.53) ACP3L3MBTL1POLBALDH1A1TDP1
SCHEMBL23031984 0.81 GAA (0.46) POLBKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL12780403 0.80 ACP3 (0.51) ACP3L3MBTL1POLBKDM4EALDH1A1
SCHEMBL9276040 0.77 ESR1 (0.41) ACP3POLBALDH1A1HSP90AA1MAPT
SCHEMBL27965875 0.76 L3MBTL1 (0.51) L3MBTL1POLBKDM4EALDH1A1HTT

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-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2021-02-25 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-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF TACR1, TACR2, GPBAR1 ACP3 2699/4885L3MBTL1 4883/4885POLB 4490/4885

“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.