SCHEMBL26427415

SCHEMBL26427415

COc1cc(CC(C)(C)c2ccc(CC(C)(C)c3ccccc3C(F)(F)F)cc2O)cc(F)c1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 11/20 0.36
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
NR3C2 P08235 5/20 0.34
PDE7A Q13946 1/20 0.34
PDE3A Q14432 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 0.33
AR P10275 1/20 0.33
PTGS1 P23219 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL26420508 0.79 ALDH1A1 (0.44) ALDH1A1CYP3A4MEN1KMT2AGAA
SCHEMBL24065732 0.71 HSD11B1 (0.36) NR3C1PDE7APDE3AALDH1A1TRPM8
SCHEMBL25733977 0.71 GAA (0.34) ALDH1A1CYP3A4MEN1KMT2AGAA
SCHEMBL23869744 0.70 ALDH1A1 (0.47) NR3C1NR3C2ALDH1A1CYP3A4GAA
SCHEMBL25791647 0.70 HTR2A (0.34) NR3C1NR3C2ALDH1A1TSHRMAPK1
SCHEMBL21764599 0.69 PTPN7 (0.37) NR3C1PTPN7DUSP3ARGAA
SCHEMBL18672381 0.67 ALDH1A1 (0.47) NR3C1ALDH1A1CYP3A4GAATSHR
SCHEMBL20802199 0.67 NR3C1 (0.42) NR3C1NR3C2
SCHEMBL18559628 0.66 MRGPRX4 (0.35) NR3C1PDE7APDE3AALDH1A1AR
SCHEMBL22275345 0.66 NR3C1 (0.31) NR3C1NR3C2

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-20230128824-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-04-27 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-20230128824-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND KRAS, NRAS, HRAS NR3C1 954/4885PTPN7 660/4885DUSP3 1022/4885

“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.