SCHEMBL26778142

SCHEMBL26778142

CC(C)Oc1cc(C(C)(C)C)ccc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 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
SCHEMBL13019327 0.85 CA1 (0.40) CA1CA2CA9ALDH1A1HPGD
SCHEMBL16606235 0.84 CA1 (0.46) CA1CA2CA9ALDH1A1HPGD
SCHEMBL25563738 0.83 CA1 (0.39) CA1CA2CA9ALDH1A1HPGD
SCHEMBL12163546 0.81 HTT (0.43) CA2ALDH1A1HPGDL3MBTL1MAPT
SCHEMBL28857734 0.79 CA1 (0.44) CA1CA2CA9ALDH1A1HPGD
SCHEMBL7849070 0.79 KMT2A (0.43) CA1CA2CA9ALDH1A1HSD17B10
SCHEMBL7809561 0.79 CA1 (0.39) CA1CA2CA9ALDH1A1HPGD
SCHEMBL12293548 0.79 ALDH1A1 (0.53) CA1CA2CA9ALDH1A1HPGD
SCHEMBL7809562 0.79 KCNH2 (0.39) ALDH1A1PTGS1
SCHEMBL12313577 0.78 KDM4E (0.49) CA1CA2CA9ALDH1A1HPGD

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-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 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-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 CA1 4817/4885CA2 3774/4885CA9 2577/4885

“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.