SCHEMBL20199503

SCHEMBL20199503

c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4-5)c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)c2)cc1

nearest known ligand 0.30

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
AGTR1 P30556 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL20199583 0.96 CYP1A2 (0.30) CYP1A2CYP3A4GAAMAPTCYP2C9
SCHEMBL20199450 0.94 CYP1A2 (0.30) CYP1A2CYP3A4GAAMAPTCYP2C9
SCHEMBL20199796 0.93 MAPT (0.31) CYP1A2CYP3A4GAAMAPTCYP2C9
SCHEMBL20199499 0.89 MAPT (0.39) CYP1A2CYP3A4GAAMAPTCYP2C9
SCHEMBL25121716 0.88 MAPT (0.39) MAPTNPSR1
SCHEMBL25121703 0.88 MAPT (0.40) CYP1A2CYP3A4GAAMAPTCYP2C9
SCHEMBL19104498 0.87 MEN1 (0.33) MAPT
SCHEMBL20199636 0.87 KDM4E (0.36) MAPT
SCHEMBL20199659 0.87 KDM4E (0.32) MAPT
SCHEMBL23184343 0.86 THRB (0.31) GAAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11001752-B2 Double spiro organic compound and organic electronic element comprising same LG CHEM, LTD. (KR) 2021-05-11 US disclosed
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 US disclosed
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 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-11001752-B2 Double spiro organic compound and organic electronic element comprising same DCX, TERT, TELO2 CYP1A2 1649/4885CYP3A4 1600/4885GAA 1919/4885
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME DCX, TERT, TELO2 CYP1A2 1649/4885CYP3A4 1600/4885GAA 1919/4885

“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.