SCHEMBL27016302

SCHEMBL27016302

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C(F)(F)F)cc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3cccc(C#N)c3)cc2-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
MAT2A P31153 1/20 0.38
TRPA1 O75762 1/20 0.37
CYP1A2 P05177 4/20 0.37
CYP3A4 P08684 4/20 0.37
CYP2D6 P10635 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2C19 P33261 2/20 0.37
KMT2A Q03164 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
PTPN5 P54829 1/20 0.36
MAPK1 P28482 1/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL27016301 0.98 CYP1A2 (0.37) PTGDR2MAT2ATRPA1CYP1A2CYP3A4
SCHEMBL27022425 0.97 MAT2A (0.38) PTGDR2MAT2ATRPA1CYP1A2CYP3A4
SCHEMBL27022396 0.96 PTGDR2 (0.40) PTGDR2MAT2ATRPA1CYP1A2CYP3A4
SCHEMBL27016330 0.94 KIF11 (0.36) PTGDR2MAT2AHCRTR1HCRTR2PDK2
SCHEMBL27016304 0.94 PTPN5 (0.40) PTGDR2MAT2ATRPA1CYP1A2CYP3A4
SCHEMBL27016296 0.93 CYP1A2 (0.39) PTGDR2MAT2ATRPA1CYP1A2CYP3A4
SCHEMBL27019165 0.93 CYP1A2 (0.39) CYP1A2CYP3A4CYP2D6MEN1ALDH1A1
SCHEMBL27022424 0.92 PTPN5 (0.38) PTGDR2MAT2ATRPA1CYP1A2CYP3A4
SCHEMBL27016303 0.91 CYP1A2 (0.39) PTGDR2MAT2ATRPA1CYP1A2CYP3A4
SCHEMBL27015916 0.91 CYP1A2 (0.39) CYP1A2CYP3A4CYP2D6MEN1ALDH1A1

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-20240018127-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2024-01-18 US disclosed
US-20240018127-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2024-01-18 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-20240018127-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES OR10J3, ORC3, ORAI3 PTGDR2 1574/4885MAT2A 3584/4885TRPA1 306/4885

“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.