SCHEMBL26577911

SCHEMBL26577911

CC(C)(O)c1cc(O)cc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.53
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MPI P34949 1/20 0.47
TRPM4 Q8TD43 1/20 0.41
CDC25B P30305 3/20 0.41
CYP1A2 P05177 4/20 0.39
HSD17B10 Q99714 3/20 0.36
HIF1A Q16665 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP1B1 Q16678 1/20 0.35
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
MIF P14174 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
SCHEMBL8655702 0.86 NQO2 (0.55) NQO2ALDH1A1HPGDMEN1MAPT
SCHEMBL547842 0.81 CYP2C19 (0.40) NQO2ALDH1A1HPGDMEN1MAPT
SCHEMBL20970361 0.80 NQO2 (0.48) NQO2ALDH1A1HPGDMEN1MAPT
SCHEMBL22071465 0.80 NQO2 (0.48) NQO2ALDH1A1HPGDMEN1MAPT
SCHEMBL26208812 0.80 TRPM4 (0.48) NQO2ALDH1A1HPGDMEN1MAPT
SCHEMBL19695808 0.79 NQO2 (0.47) NQO2ALDH1A1HPGDMEN1MAPT
SCHEMBL11402389 0.78 NQO2 (0.46) NQO2ALDH1A1HPGDMEN1MAPT
SCHEMBL547819 0.75 ALDH1A1 (0.44) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL29380144 0.75 ALDH1A1 (0.44) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL18802730 0.72 CYP2A6 (0.39) NQO2ALDH1A1HPGDMEN1MAPT

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-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS ARAXES PHARMA LLC (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-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS KRAS, NRAS, HRAS NQO2 187/4885ALDH1A1 3346/4885HPGD 1995/4885

“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.