SCHEMBL25456002

SCHEMBL25456002

CC(C)c1ccc(-c2cc(-c3ccccc3)ccn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.56
SMO Q99835 2/20 0.48
ASIC3 Q9UHC3 1/20 0.47
PIM1 P11309 1/20 0.46
FAAH O00519 1/20 0.45
DHODH Q02127 1/20 0.43
MAP4K4 O95819 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
MAPKAPK2 P49137 1/20 0.42
PTPN5 P54829 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40

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
SCHEMBL18790067 1.00 TGFBR1 (0.56) TGFBR1SMOASIC3PIM1FAAH
SCHEMBL18790842 0.87 TGFBR1 (0.45) TGFBR1SMOASIC3PIM1MAP4K4
SCHEMBL18790497 0.87 RXRA (0.47) TGFBR1SMOASIC3PIM1FAAH
SCHEMBL18790543 0.87 ASIC3 (0.47) TGFBR1SMOASIC3PIM1FAAH
SCHEMBL25456048 0.86 ASIC3 (0.50) TGFBR1SMOASIC3FAAHDHODH
SCHEMBL29854571 0.86 ASIC3 (0.61) TGFBR1SMOASIC3PIM1MAP4K4
SCHEMBL24291931 0.86 ASIC3 (0.61) TGFBR1SMOASIC3PIM1MAP4K4
SCHEMBL17694751 0.86 ASIC3 (0.61) TGFBR1SMOASIC3PIM1MAP4K4
SCHEMBL4897325 0.84 KMO (0.55) TGFBR1DHODHMAP4K4RXRARXRB
SCHEMBL4901264 0.84 RXRA (0.57) SMOMAP4K4RXRARXRBRXRG

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-11653558-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-05-16 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-11653558-B2 Organic electroluminescent materials and devices OSBPL3, LBR, LOXL3 TGFBR1 1435/4885SMO 3558/4885ASIC3 1131/4885

“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.