SCHEMBL22967441

SCHEMBL22967441

CC(C)(C)c1cc(OC(=O)C(F)(F)F)cc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
CDC25B P30305 4/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
ELANE P08246 2/20 0.34
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNJ11 Q14654 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ8 Q15842 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
SCHEMBL7857971 0.80 KDM4E (0.42) MAPTALDH1A1HPGDCDC25BMTNR1A
SCHEMBL22529356 0.75 ADORA2A (0.39) ALDH1A1HPGDCDC25BL3MBTL1
SCHEMBL1896897 0.75 KMT2A (0.56) MAPTALDH1A1KDM4EHSD17B10MEN1
SCHEMBL18133831 0.75 CA1 (0.50) MAPTALDH1A1HPGDCDC25BKDM4E
SCHEMBL19617256 0.71 ELANE (0.45) MAPTALDH1A1HPGDCDC25BELANE
SCHEMBL30065067 0.71 ELANE (0.45) MAPTALDH1A1HPGDCDC25BELANE
SCHEMBL17323584 0.70 NQO2 (0.44) MAPTCDC25BELANEKDM4EHSD17B10
SCHEMBL6851496 0.70 TDP1 (0.55) ALDH1A1ELANEKDM4E
SCHEMBL1559001 0.70 ALDH1A1 (0.44) POLBMAPTALDH1A1HPGDMTNR1A
SCHEMBL29053280 0.70 ALDH1A1 (0.33) MAPTALDH1A1HPGDCDC25B

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-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. 2021-02-11 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-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS KRAS, NRAS, APC POLB 1290/4885MAPT 2510/4885ALDH1A1 3926/4885

“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.