SCHEMBL25720487

SCHEMBL25720487

CC1(c2ccc(-c3cc(-c4cccc(N5OC(C)(C)C(C)(C)O5)c4)nc(-c4cccnc4)n3)cc2)C[C@@H]2CC[C@@H](C2)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
GBA1 P04062 4/20 0.34
CYP3A4 P08684 3/20 0.32
CYP2D6 P10635 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 3/20 0.32
MTOR P42345 2/20 0.32
CYP1A2 P05177 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3CD O00329 2/20 0.31
PIK3R1 P27986 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK10 P53779 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL25709663 0.89 TSHR (0.44) TSHRGBA1CYP3A4CYP2D6CYP2C9
SCHEMBL25720484 0.84 TSHR (0.33) TSHRGBA1CYP3A4CYP2D6CYP2C9
SCHEMBL25720703 0.75 TSHR (0.41) TSHRGBA1CYP3A4CYP2D6CYP2C9
SCHEMBL25720660 0.65 LIPG (0.51) TSHRALDH1A1
SCHEMBL25720516 0.64 LIPG (0.48)
SCHEMBL25709715 0.64 TSHR (0.49) TSHRGBA1CYP3A4CYP2D6CYP2C9
SCHEMBL25720497 0.63 LIPG (0.42)
SCHEMBL16687458 0.63 AR (0.46) CYP3A4ALDH1A1
SCHEMBL23996443 0.62 CYP19A1 (0.60) CYP3A4CYP2C9KDM4ETP53ALDH1A1
SCHEMBL19397422 0.62 CYP19A1 (0.60) CYP3A4CYP2C9KDM4ETP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746093-B2 Nitrogen-containing compound, electronic element, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-05 US disclosed
US-20230192627-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 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 (2 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-11746093-B2 Nitrogen-containing compound, electronic element, and electronic device SLC43A1, SLC7A5, L1CAM TSHR 4832/4885GBA1 4017/4885CYP3A4 1284/4885
US-20230192627-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SLC43A1, SLC7A5, L1CAM TSHR 4832/4885GBA1 4017/4885CYP3A4 1284/4885

“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.