SCHEMBL19862779

SCHEMBL19862779

CC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
KIF11 P52732 4/20 0.40
TACR1 P25103 1/20 0.38
CYP19A1 P11511 2/20 0.37
PTAFR P25105 1/20 0.37
S1PR1 P21453 1/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GPR84 Q9NQS5 1/20 0.35
RORB Q92753 1/20 0.35
HSD17B2 P37059 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL16386582 1.00 PTGES (0.41) PTGESALOX5KIF11TACR1CYP19A1
SCHEMBL2068610 0.95 PTGES (0.38) PTGESALOX5KIF11TACR1CYP19A1
SCHEMBL27608014 0.95 TACR1 (0.39) PTGESALOX5KIF11TACR1CYP19A1
SCHEMBL28588395 0.93 PTAFR (0.39) PTGESALOX5KIF11TACR1PTAFR
SCHEMBL22079981 0.88 PTGES (0.44) PTGESALOX5KIF11CYP19A1PTAFR
SCHEMBL22079658 0.88 PTGES (0.44) PTGESALOX5KIF11CYP19A1PTAFR
SCHEMBL26625120 0.87 TACR1 (0.34) PTGESALOX5TACR1PTAFRS1PR1
SCHEMBL6660571 0.86 RAB9A (0.41) PTGESALOX5PTAFRS1PR1TP53
SCHEMBL19934075 0.86 KIF11 (0.39) PTGESALOX5KIF11TACR1PTAFR
SCHEMBL15038424 0.86 ALDH1A1 (0.39) SMN1; SMN2RAB9ANPC1ALDH1A1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12041848-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2024-07-16 US disclosed
US-12041848-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2024-07-16 US disclosed
US-11081650-B2 Spiro compound and organic light-emitting element comprising same LG CHEM, LTD. 2021-08-03 US disclosed
US-11050026-B2 Spiro compound and organic light-emitting element comprising same LG CHEM, LTD. 2021-06-29 US disclosed
US-10968230-B2 Spiro-structured compound and organic electronic device comprising same LG CHEM, LTD. 2021-04-06 US disclosed
US-10230056-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2019-03-12 US disclosed
US-20180175304-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-06-21 US disclosed
US-20180175304-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-06-21 US disclosed
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
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-02-15 US disclosed
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-02-15 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 (8 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-10230056-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, NR2E3 PTGES 1281/4885ALOX5 1089/4885KIF11 2816/4885
US-12041848-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, NR2E3 PTGES 1281/4885ALOX5 1089/4885KIF11 2816/4885
US-20180175304-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG PTGES 569/4885ALOX5 2750/4885KIF11 1271/4885
US-11081650-B2 Spiro compound and organic light-emitting element comprising same RER1, NR2E3, RIF1 PTGES 1016/4885ALOX5 4024/4885KIF11 2158/4885
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, NR2E3 PTGES 1281/4885ALOX5 1089/4885KIF11 2816/4885
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG PTGES 569/4885ALOX5 2750/4885KIF11 1271/4885
US-10968230-B2 Spiro-structured compound and organic electronic device comprising same ESR1, OR10J3, ERG PTGES 1107/4885ALOX5 3557/4885KIF11 925/4885
US-11050026-B2 Spiro compound and organic light-emitting element comprising same NR2E3, CRY1, ERG PTGES 569/4885ALOX5 2750/4885KIF11 1271/4885

“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.