SCHEMBL26523521

SCHEMBL26523521

COc1c(C(C)(C)C)cc2ccccc2c1CC(C)(C)c1ccc2c(OC)cccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ NR3C1 P04150 2/20 0.36
▸ NR3C2 P08235 2/20 0.36
▸ EGFR P00533 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ METAP2 P50579 1/20 0.33
▸ NQO1 P15559 1/20 0.33
▸ KCNA5 P22460 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL16160155 0.74 MAPK14 (0.47) MAPK14KDM4EALDH1A1HPGDMAPT
SCHEMBL20180475 0.69 CYP1A2 (0.34) MAPK14KDM4EALDH1A1HPGDMAPT
SCHEMBL26522379 0.67 NQO1 (0.47) MAPK14KDM4EALDH1A1HPGDMAPT
SCHEMBL19832065 0.65 MMP1 (0.36) KDM4EALDH1A1HPGDMAPTNR3C1
SCHEMBL11891545 0.64 PTGES (0.46) KDM4EALDH1A1HPGDMAPTNQO1
SCHEMBL30373629 0.64 MAPT (0.61) KDM4EALDH1A1MAPTNQO1HSD17B10
SCHEMBL151449 0.64 MAPT (0.61) KDM4EALDH1A1MAPTNQO1HSD17B10
SCHEMBL29367279 0.64 MAPT (0.61) KDM4EALDH1A1MAPTNQO1HSD17B10
SCHEMBL20932810 0.64 ALDH1A1 (0.41) MAPK14KDM4EALDH1A1HPGDMAPT
SCHEMBL9967886 0.64 SMN1; SMN2 (0.50) KDM4EALDH1A1HPGDMETAP2NQO1

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-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 — — 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-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS KRAS, NRAS, HRAS MAPK14 591/4885KDM4E 3093/4885ALDH1A1 3193/4885

“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.

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