SCHEMBL25709663

SCHEMBL25709663

CC1(C)ON(c2cccc(-c3cc(-c4ccc(C56C[C@H]7C[C@@H](C5)C[C@@H](C6)C7)cc4)nc(-c4cccnc4)n3)c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
GBA1 P04062 2/20 0.37
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3CD O00329 2/20 0.32
PIK3R1 P27986 2/20 0.32
MAPK8 P45983 1/20 0.31
MAPK10 P53779 1/20 0.31
CYP3A4 P08684 4/20 0.31
CYP2C9 P11712 3/20 0.31
CYP2D6 P10635 3/20 0.31
CYP2C19 P33261 2/20 0.31
MTOR P42345 2/20 0.31
CYP1A2 P05177 2/20 0.31
GRM1 Q13255 1/20 0.31
BACE1 P56817 1/20 0.31
HSD17B10 Q99714 2/20 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
SCHEMBL25720487 0.89 TSHR (0.37) TSHRGBA1PIK3CAPIK3CBPIK3CG
SCHEMBL25720484 0.85 TSHR (0.33) TSHRGBA1PIK3CAPIK3CBPIK3CG
SCHEMBL25709715 0.74 TSHR (0.49) TSHRGBA1CYP17A1CYP19A1CYP3A4
SCHEMBL31005190 0.71 TSHR (0.52) TSHRGBA1CYP17A1CYP19A1HSD17B10
SCHEMBL18317460 0.69 TSHR (0.52) TSHRGBA1CYP17A1CYP19A1HSD17B10
SCHEMBL18317684 0.69 TSHR (0.52) TSHRGBA1CYP17A1CYP19A1HSD17B10
SCHEMBL18317756 0.69 TSHR (0.52) TSHRGBA1CYP17A1CYP19A1HSD17B10
SCHEMBL23311641 0.66 HTT (0.46) TSHRCYP2C19CYP1A2NPSR1ALDH1A1
SCHEMBL31074752 0.64 HTT (0.44) TSHRALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL16687458 0.64 AR (0.46) CYP3A4HSD17B10ALDH1A1HTT

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 4017/4885CYP17A1 3794/4885
US-20230192627-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SLC43A1, SLC7A5, L1CAM TSHR 4832/4885GBA1 4017/4885CYP17A1 3794/4885

“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.