SCHEMBL19862777

SCHEMBL19862777

CC(C)(C)N(c1ccccc1)c1ccccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.39
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP2A6 P11509 2/20 0.34
HPGD P15428 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ABCB1 P08183 1/20 0.33
HTR7 P34969 2/20 0.33
PTGS2 P35354 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
DPP4 P27487 1/20 0.31
BACE1 P56817 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL19862785 0.93 TACR1 (0.38) TACR1ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL17974863 0.93 TACR1 (0.38) TACR1ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL17974868 0.90 TACR1 (0.42) TACR1ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL24206228 0.88 TACR1 (0.38) TACR1MEN1KMT2ASMN1; SMN2PDCD1
SCHEMBL29313055 0.84 TACR1 (0.36) TACR1MEN1KMT2ASMN1; SMN2
SCHEMBL26002625 0.83 MEN1 (0.36) ALDH1A1MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL23251176 0.82 TACR1 (0.32) TACR1
SCHEMBL24206307 0.81 TACR1 (0.38) TACR1ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL5673228 0.81 TACR1 (0.39) TACR1ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL24474691 0.79 PTGS2 (0.39) ALDH1A1MEN1KMT2APTGS2ADORA3

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 8 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-20220173330-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2022-06-02 US disclosed
US-11050026-B2 Spiro compound and organic light-emitting element comprising same LG CHEM, LTD. 2021-06-29 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-12041848-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, NR2E3 TACR1 3717/4885ALDH1A1 242/4885HSD17B10 2591/4885
US-20180175304-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG TACR1 420/4885ALDH1A1 83/4885HSD17B10 1647/4885
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, NR2E3 TACR1 3717/4885ALDH1A1 242/4885HSD17B10 2591/4885
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG TACR1 420/4885ALDH1A1 83/4885HSD17B10 1647/4885
US-20220173330-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME LEF1, ODC1, OR10J3 TACR1 4174/4885ALDH1A1 41/4885HSD17B10 1606/4885
US-11050026-B2 Spiro compound and organic light-emitting element comprising same NR2E3, CRY1, ERG TACR1 420/4885ALDH1A1 83/4885HSD17B10 1647/4885

“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.