SCHEMBL20179276

SCHEMBL20179276

c1ccc(-c2cc(-c3ccc(-c4cccc5c4C4(c6ccccc6-5)c5ccccc5-c5sc6ccccc6c54)cc3)nc(-c3ccc4cc(-c5ccc(-c6cc(-c7cccc8c7C7(c9ccccc9-c9ccccc97)c7c-8sc8ccccc78)nc(-c7ccc8ccccc8c7)n6)cc5)ccc4c3)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
S1PR5 Q9H228 7/20 0.33
S1PR4 O95977 6/20 0.33
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
PIM1 P11309 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
SCHEMBL20174500 0.95 CYP1A1 (0.37) CYP1A1CYP1B1S1PR5S1PR4KDM4E
SCHEMBL20174496 0.94 CYP1A1 (0.38) CYP1A1CYP1B1S1PR5S1PR4KDM4E
SCHEMBL20174503 0.89 CYP1A1 (0.40) CYP1A1CYP1B1S1PR5S1PR4KDM4E
SCHEMBL20174538 0.88 MEN1 (0.37) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL20174502 0.87 CYP1A1 (0.39) CYP1A1CYP1B1S1PR5S1PR4KDM4E
SCHEMBL20174461 0.87 MAPT (0.34) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL20174442 0.87 MEN1 (0.36) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL20174507 0.86 CYP1A1 (0.39) CYP1A1CYP1B1S1PR5S1PR4KDM4E
SCHEMBL20174501 0.86 MEN1 (0.37) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL20174495 0.84 CYP1A1 (0.38) CYP1A1CYP1B1S1PR5S1PR4KDM4E

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-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 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-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG CYP1A1 726/4885CYP1B1 725/4885S1PR5 3034/4885

“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.