SCHEMBL19174283

SCHEMBL19174283

COC(=O)c1cc(C)cc[n+]1[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
NR4A2 P43354 2/20 0.37
HSD17B10 Q99714 3/20 0.37
ALPL P05186 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 4/20 0.36
POLB P06746 2/20 0.36
CYP46A1 Q9Y6A2 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL21875429 0.81 NR4A2 (0.39) NR4A2HSD17B10ALDH1A1SMN1; SMN2MAPT
SCHEMBL30261818 0.81 CA2 (0.43) CA12CA9NR4A2HSD17B10ALPL
SCHEMBL30142092 0.81 ABL1 (0.44) CA12CA9NR4A2HSD17B10ALPL
SCHEMBL17362576 0.81 ALPL (0.38) ALPLKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL29799525 0.81 ALPL (0.38) ALPLKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL17477642 0.81 CA2 (0.43) CA12CA9NR4A2HSD17B10ALPL
SCHEMBL16505901 0.78 CFTR (0.49) ALDH1A1SMN1; SMN2MAPTPOLBKMT2A
SCHEMBL30021484 0.78 CFTR (0.49) ALDH1A1SMN1; SMN2MAPTPOLBKMT2A
SCHEMBL22533249 0.76 NPC1 (0.43) TDP1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL29422786 0.76 NPC1 (0.43) TDP1HSD17B10KDM4EALDH1A1HPGD

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-20230158024-A1 CD38 INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2023-05-25 US disclosed
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-07-27 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-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA TDP1 1664/4885CA12 4545/4885CA9 4054/4885
US-20230158024-A1 CD38 INHIBITORS CD38, NQO1, NDUFAB1 TDP1 221/4885CA12 615/4885CA9 697/4885

“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.