SCHEMBL19977472

SCHEMBL19977472

CC(C)(C)c1ccc2c(c1)c1c(n2-c2ccccc2)C=CCC1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 3/20 0.33
▸ PGR P06401 1/20 0.33
▸ RORA P35398 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ RORB Q92753 1/20 0.33
▸ MDH2 P40926 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ PPARG P37231 3/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ MAT2A P31153 1/20 0.31
▸ PPARA Q07869 1/20 0.30
▸ HTR1D P28221 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HRH1 P35367 1/20 0.30
▸ HTR6 P50406 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
SCHEMBL13263440 0.91 KDM4E (0.36) PGRRORARORCRORBMDH2
SCHEMBL13263436 0.83 PPARG (0.36) PPARGL3MBTL1KDM4EATMPPARA
SCHEMBL13445292 0.83 HTR6 (0.37) TSHRL3MBTL1KDM4EATMNPC1
SCHEMBL12283743 0.83 PPARG (0.33) PPARGL3MBTL1KDM4EATM
SCHEMBL24296375 0.81 ALDH1A1 (0.36) PPARGL3MBTL1KDM4EATMMAPK1
SCHEMBL21539289 0.81 ALDH1A1 (0.39) L3MBTL1KDM4EATMNPC1MAPK1
SCHEMBL17522890 0.81 KDM4E (0.34) L3MBTL1KDM4EATM
SCHEMBL18903134 0.80 L3MBTL1 (0.45) L3MBTL1KDM4EATM
SCHEMBL10190807 0.80 ALDH1A1 (0.33) TSHRL3MBTL1KDM4EATMMAPK1
SCHEMBL12939244 0.80 L3MBTL1 (0.48) PGRL3MBTL1KDM4EATMMAPK1

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-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-22 — — US disclosed
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-22 — — 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 (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-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG DNMT1 1153/4885PGR 623/4885RORA 4/4885

“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.

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