SCHEMBL22355197

SCHEMBL22355197

COc1cc[n+](CC(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.38
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
RCE1 Q9Y256 1/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
APEX1 P27695 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
ELANE P08246 1/20 0.36
NR1D1 P20393 1/20 0.36
NPC1 O15118 1/20 0.36
EPHX2 P34913 1/20 0.36

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
Bromide SCHEMBL18555920 0.98 ATM (0.43) ATMHSP90AA1MAPTKMT2AALDH1A1
SCHEMBL26415684 0.81 HTT (0.41) ATMHSP90AA1KMT2AALDH1A1RECQL
Bromide SCHEMBL344334 0.81 HSP90AA1 (0.49) ATMHSP90AA1MAPTKMT2AALDH1A1
Bromide SCHEMBL26128657 0.80 HTT (0.43) ATMHSP90AA1KMT2AALDH1A1LMNA
SCHEMBL13700841 0.78 AKR1B1 (0.40) KMT2AALDH1A1MEN1RCE1LMNA
SCHEMBL24510743 0.77 ATM (0.50) ATMHSP90AA1MAPTKMT2AALDH1A1
SCHEMBL26415049 0.77 KMT2A (0.55) HSP90AA1KMT2AALDH1A1KDM4E
Bromide SCHEMBL18549649 0.75 KMT2A (0.58) HSP90AA1KMT2AALDH1A1MEN1RCE1
Hydrochloric Acid SCHEMBL29129066 0.75 ATM (0.53) ATMHSP90AA1MAPTKMT2AMTNR1A
SCHEMBL12789446 0.74 CYP4Z1 (0.44) MAPTKMT2AALDH1A1LMNAMAPK1

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
WO-2023183613-A2 INDOLIZINE COMPOUNDS FOR THE TREATMENT OF MENTAL DISORDERS OR INFLAMMATION TACTOGEN INC (US) 2023-09-28 WO disclosed
US-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-08-20 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-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH ATM 2201/4885HSP90AA1 3827/4885MAPT 4523/4885

“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.