SCHEMBL23451690

SCHEMBL23451690

COC(=O)c1ccc2c(c1)C1(CC1)CN2C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 3/20 0.47
ALOX15 P16050 2/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
CASP3 P42574 1/20 0.47
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP3A4 P08684 2/20 0.43
POLB P06746 1/20 0.43
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
NOTUM Q6P988 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL21792151 0.85 RARB (0.48) KDM4EALDH1A1HSD17B10ALOX15CASP1
SCHEMBL17446870 0.76 NOTUM (0.57) KDM4EALDH1A1HSD17B10ALOX15CASP1
SCHEMBL31396115 0.74 NPY5R (0.47) KDM4EHSD17B10SMN1; SMN2POLBNOTUM
SCHEMBL24704618 0.73 ALDH1A1 (0.56) KDM4EALDH1A1HSD17B10ALOX15CASP1
SCHEMBL26722272 0.73 RARA (0.78) KDM4EALDH1A1HSD17B10ALOX15CASP1
SCHEMBL21792031 0.73 KDM4E (0.56) KDM4EALDH1A1HSD17B10ALOX15CASP1
SCHEMBL2502232 0.73 KDM4E (0.59) KDM4EALDH1A1HSD17B10ALOX15CASP1
SCHEMBL30183723 0.71 CASP3 (0.45) KDM4EALDH1A1HSD17B10ALOX15CASP1
SCHEMBL17436145 0.71 NOTUM (0.59) KDM4EALDH1A1HSD17B10ALOX15CASP1
SCHEMBL3931904 0.71 CASP3 (0.54) ALDH1A1CASP3SMN1; SMN2CYP3A4POLB

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-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 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-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 KDM4E 3907/4885ALDH1A1 1260/4885HSD17B10 638/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT KDM4E 4149/4885ALDH1A1 658/4885HSD17B10 785/4885

“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.