SCHEMBL26440951

SCHEMBL26440951

COC(=O)c1ccc2c(ccn2C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
XDH P47989 1/20 0.44
LCK P06239 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
ALOX15 P16050 2/20 0.42
HTT P42858 2/20 0.42
PTPN11 Q06124 1/20 0.42
MAPT P10636 2/20 0.41

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
SCHEMBL26433123 0.87 GABRA1 (0.40) CA12CA1CA2CA9CA14
SCHEMBL3929487 0.83 RAPGEF4 (0.48) KDM4EHPGDHSD17B10HTTTUBB4A
SCHEMBL108632 0.80 TUBB4A (0.59) KDM4ECA12CA1CA2CA7
SCHEMBL29944244 0.80 TUBB4A (0.59) KDM4ECA12CA1CA2CA7
SCHEMBL28114800 0.78 KDM4E (0.48) KDM4ECA12CA1CA2CA7
SCHEMBL28837051 0.78 CA1 (0.46) KDM4ECA12CA1CA2CA7
SCHEMBL1057530 0.77 PIK3CD (0.44) KDM4ECA12CA1CA2CA7
SCHEMBL30066410 0.77 PIK3CD (0.44) KDM4ECA12CA1CA2CA7
SCHEMBL18555462 0.77 KDM4E (0.48) KDM4ECA12CA1CA2CA7
SCHEMBL2324058 0.76 TUBB4A (0.62) KDM4ECA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates MERSANA THERAPEUTICS, INC. (US) 2023-05-02 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 (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-11638760-B2 Pyrrolobenzodiazepine antibody conjugates GABRA4, GABRA1, GABRA2 KDM4E 1256/4885CA12 1750/4885CA1 2019/4885

“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.