SCHEMBL26707331

SCHEMBL26707331

COc1c(F)ccc2cc(O)cc(C(C)C)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 4/20 0.34
CYP3A4 P08684 1/20 0.34
ESR1 P03372 4/20 0.34
ESR2 Q92731 4/20 0.34
ABL1 P00519 2/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
CDK5 Q00535 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL26707330 0.87 ADRA2A (0.34) ESR1ESR2POLBTUBB1ADRA2A
SCHEMBL26713113 0.85 ADRA2A (0.31) ESR1ESR2ADRA2AADRA2BADRA2C
SCHEMBL26707332 0.85 EIF4A3 (0.31) ESR1ESR2ADRA2AADRA2BADRA2C
SCHEMBL24680368 0.81 ESR1 (0.35) CYP3A4ESR1ESR2HPGDBLM
SCHEMBL26713115 0.80 TUBB4A (0.40) TDP1MAPTCYP3A4ESR1ESR2
SCHEMBL24176030 0.80 GABRA1 (0.40) CYP3A4ESR1ESR2ADRA2AADRA2B
SCHEMBL24791858 0.80 LMNA (0.34) CYP3A4ESR1ESR2HPGDBLM
SCHEMBL27358439 0.80 ESR1 (0.34) CYP3A4ESR1ESR2HPGDBLM
SCHEMBL25046942 0.78 GABRA1 (0.35) ESR1ESR2ADRA2AADRA2BADRA2C
SCHEMBL31551755 0.78 ALOX5 (0.40) TDP1MAPTCYP3A4ESR1ESR2

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-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 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-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS TDP1 4075/4885MAPT 4801/4885CYP3A4 1166/4885

“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.