SCHEMBL29344478

SCHEMBL29344478

C#Cc1cc(O)cc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.55
ESR1 P03372 5/20 0.51
ESR2 Q92731 5/20 0.51
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
MPI P34949 1/20 0.48
KMT2A Q03164 1/20 0.48
TRPM4 Q8TD43 1/20 0.42
CDC25B P30305 3/20 0.41
CYP1A2 P05177 1/20 0.40
ESRRB O95718 1/20 0.39
ESRRA P11474 1/20 0.39
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL29937378 1.00 NQO2 (0.55) NQO2ESR1ESR2ALDH1A1KDM4E
SCHEMBL9098788 0.80 NQO2 (0.55) NQO2ESR1ESR2ALDH1A1KDM4E
SCHEMBL31588569 0.80 ESR2 (0.59) NQO2ESR1ESR2ALDH1A1KDM4E
SCHEMBL29614953 0.80 ESR2 (0.59) NQO2ESR1ESR2ALDH1A1KDM4E
SCHEMBL8913792 0.80 ESR2 (0.59) NQO2ESR1ESR2ALDH1A1KDM4E
SCHEMBL7038981 0.78 CYP1A2 (0.43) NQO2ESR1ESR2CYP1A2ESRRB
SCHEMBL30365640 0.78 CYP1A2 (0.43) NQO2ESR1ESR2CYP1A2ESRRB
SCHEMBL29976877 0.78 CYP2A6 (0.41) NQO2ESR1ESR2ALDH1A1KDM4E
SCHEMBL31587957 0.77 TRPM4 (0.46) ALDH1A1MAPTHPGDTRPM4CYP1A2
SCHEMBL313567 0.77 TRPM4 (0.46) ALDH1A1MAPTHPGDTRPM4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS NQO2 402/4885ESR1 2203/4885ESR2 3675/4885

“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.