SCHEMBL26778024

SCHEMBL26778024

COc1cc(C(C)(C)C)cc(C)c1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
MAP3K14 Q99558 1/20 0.40
HTR1D P28221 2/20 0.36
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
ACHE P22303 2/20 0.33
HTR1B P28222 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
NR1I2 O75469 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
CNR2 P34972 2/20 0.31

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
SCHEMBL10212113 0.89 TP53 (0.39) POLBMAP3K14TP53LMNACYP3A4
SCHEMBL23435272 0.83 ACHE (0.48) MAP3K14TP53LMNACYP3A4HPGD
SCHEMBL15828699 0.80 POLB (0.43) POLBHTR1DTP53LMNACYP3A4
SCHEMBL13021639 0.79 POLB (0.41) POLBHTR1DTP53LMNACYP3A4
SCHEMBL19504309 0.79 FGFR2 (0.33) POLBHTR1DTP53LMNACYP3A4
SCHEMBL30455185 0.79 HPGD (0.46) TP53LMNACYP3A4HPGDALOX15
SCHEMBL1425172 0.79 HPGD (0.46) TP53LMNACYP3A4HPGDALOX15
SCHEMBL25792773 0.79 CYP2C19 (0.36) POLBMAP3K14TP53LMNACYP3A4
SCHEMBL12024914 0.78 ACHE (0.48) POLBHTR1DTP53LMNACYP3A4
SCHEMBL27974117 0.78 POLB (0.55) POLBHTR1DTP53LMNACYP3A4

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-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
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 POLB 2666/4885MAP3K14 193/4885HTR1D 411/4885

“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.