SCHEMBL19545100

SCHEMBL19545100

CCOC(=O)C(=O)CC(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 3/20 0.68
FEN1 P39748 3/20 0.68
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
HPGD P15428 1/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
MMP1 P03956 1/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 2/20 0.51
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 2/20 0.48
MAPK14 Q16539 1/20 0.47
HDAC3 O15379 1/20 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
SCHEMBL70968 0.88 ERCC5 (0.58) ERCC5FEN1NPC1RAB9AHPGD
SCHEMBL5753439 0.85 ERCC5 (0.62) ERCC5FEN1NPC1RAB9AHPGD
SCHEMBL6365441 0.85 HAO1 (0.63) ERCC5FEN1NPC1RAB9AHPGD
SCHEMBL70341 0.83 ALDH1A1 (0.63) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL1694652 0.83 HDAC3 (0.57) NPC1ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL19533568 0.83 PTGS2 (0.48) ERCC5FEN1NPC1RAB9AHPGD
SCHEMBL19533658 0.83 CTSA (0.49) ERCC5FEN1MMP1ALDH1A1SMN1; SMN2
SCHEMBL16618083 0.82 HPGDS (0.48) ERCC5FEN1NPC1RAB9AHPGD
SCHEMBL9350687 0.82 HDAC3 (0.56) ALDH1A1SMN1; SMN2POLBHTTLMNA
SCHEMBL4739675 0.81 ALDH1A1 (0.57) ERCC5FEN1NPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246317-B1 BTK INHIBITOR HUBEI BIO PHARMACEUTICAL INDUSTRIAL TECH INSTITUTE INC (CN) 2023-02-22 EP disclosed
US-10662174-B2 BTK inhibitor HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2020-05-26 US disclosed
EP-3246317-A1 BTK INHIBITOR Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2017-11-22 EP disclosed
US-20170313683-A1 BTK INHIBITOR HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2017-11-02 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-10662174-B2 BTK inhibitor BTK, SYK, LYN ERCC5 3530/4885FEN1 3788/4885NPC1 3497/4885
US-20170313683-A1 BTK INHIBITOR BTK, SYK, LYN ERCC5 3530/4885FEN1 3788/4885NPC1 3497/4885

“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.