SCHEMBL19735301

SCHEMBL19735301

CC(C)(C)c1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.44
▸ PPARG P37231 4/20 0.42
▸ SERPINE1 P05121 3/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ KIF11 P52732 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ HSD17B2 P37059 1/20 0.40
▸ PPARA Q07869 2/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL24793869 0.95 KDM4E (0.49) PTGESPPARGSERPINE1MDM2KIF11
SCHEMBL20391671 0.95 KDM4E (0.49) PTGESPPARGSERPINE1MDM2KIF11
SCHEMBL14900715 0.94 KDM4E (0.42) PTGESPPARGSERPINE1MDM2KIF11
SCHEMBL20850481 0.93 PTGES (0.45) PTGESPPARGSERPINE1KIF11NR1H4
SCHEMBL23331454 0.93 PTGES (0.41) PTGESPPARGSERPINE1MDM2KIF11
SCHEMBL24792718 0.92 KDM4E (0.53) PTGESPPARGSERPINE1MDM2KDM4E
SCHEMBL24793159 0.92 KDM4E (0.53) PTGESPPARGSERPINE1MDM2KDM4E
SCHEMBL14900728 0.92 KDM4E (0.43) PTGESSERPINE1KIF11KDM4EATM
SCHEMBL23485921 0.92 KDM4E (0.47) PTGESPPARGSERPINE1KIF11KDM4E
SCHEMBL11981056 0.92 KDM4E (0.47) PTGESPPARGSERPINE1KIF11KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9960357-B2 Spiro-type compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2018-05-01 — — US disclosed
US-9960357-B2 Spiro-type compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2018-05-01 — — US disclosed
US-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2017-12-21 — — US disclosed
US-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2017-12-21 — — 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-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, NR2E3, LEF1 PTGES 598/4885PPARG 352/4885SERPINE1 3592/4885

“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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