SCHEMBL9863333

SCHEMBL9863333

CCOP(=O)(Cc1cc(C)no1)OCC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
VHL P40337 1/20 0.39
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.36
RAB9A P51151 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
EPHX2 P34913 2/20 0.33
PPARD Q03181 1/20 0.32
EGFR P00533 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
SCHEMBL11397475 0.82 MAPT (0.44) MAPTHTTTSHRRAB9ATDP1
SCHEMBL8864052 0.81 MAPT (0.43) MAPTHTTALDH1A1TSHRKDM4E
SCHEMBL11400724 0.80 MAPT (0.50) MAPTHTTMEN1KMT2APOLB
SCHEMBL11392501 0.80 MAPT (0.43) MAPTHTTALDH1A1TSHRRAB9A
SCHEMBL11399889 0.80 MAPT (0.43) MAPTHTTALDH1A1TSHRKDM4E
SCHEMBL11387029 0.78 MAPT (0.42) MAPTHTTTSHREGFR
SCHEMBL9309393 0.77 MAPT (0.41) MAPTHTTALDH1A1TSHRRAB9A
SCHEMBL9863391 0.76 NOTUM (0.51) MAPTHTTPOLBALDH1A1RAB9A
SCHEMBL11346905 0.75 VHL (0.46) MEN1KMT2AVHLPOLBALDH1A1
SCHEMBL8603249 0.74 NOTUM (0.54) MAPTHTTMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238187-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES WILLIAM MARSH RICE UNIVERSITY (US) 2021-08-05 US disclosed
CN-110944664-A Aziridines containing epothilone analogs, methods of synthesis, methods of treatment, and drug conjugates 威廉马歇莱思大学 2020-03-31 CN disclosed
US-5041567-A Human and veterianary medicine; veneral diseases respiratory diseases, bovine mastitis BEECHAM GROUP PLC (GB) 1991-08-20 US disclosed
US-4812470-A Antibacterial monic acid derivatives BEECHAM GROUP P.L.C. (GB) 1989-03-14 US disclosed
EP-0087953-B1 ANTIBACTERIAL 1-NORMON-2-YL-HETEROCYCLIC COMPOUNDS BEECHAM GROUP PLC (GB) 1988-04-27 EP disclosed
EP-0087953-A2 Antibacterial 1-normon-2-yl-heterocyclic compounds BEECHAM GROUP PLC (GB) 1983-09-07 EP disclosed
US-4251539-A HYPOTENSIVE AGENTS, ANTIARRHYTHMIA AGENTS BASF AKTIENGESELLSCHAFT (DE) 1981-02-17 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-20210238187-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES EPOR, EZR, CD47 MAPT 4222/4885HTT 3328/4885MEN1 2437/4885

“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.