SCHEMBL21294098

SCHEMBL21294098

C1=Cc2ccc3c(ccc4c5ccccc5ccc34)c2CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.48
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
PAX8 Q06710 1/20 0.41
CYP1A2 P05177 3/20 0.40
MAPT P10636 2/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ACHE P22303 1/20 0.40
SLC6A2 P23975 1/20 0.40
AHR P35869 1/20 0.40
HIF1A Q16665 2/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
CYP2C9 P11712 2/20 0.37
HPGD P15428 2/20 0.37

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
SCHEMBL3420267 1.00 HPRT1 (0.48) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL1893653 0.91 HSD17B10 (0.41) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL27781003 0.83
SCHEMBL30446008 0.82 HPRT1 (0.52) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL12475251 0.82 HPRT1 (0.52) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL159626 0.82 HPRT1 (0.52) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL31497107 0.82 HPRT1 (0.52) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL30541938 0.82 HPRT1 (0.52) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
Charcoal, Activated SCHEMBL3299280 0.81 HPRT1 (0.50) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL3418047 0.79 ALDH1A1 (0.36) ALDH1A1HSD17B10TDP1CYP1A2MAPT

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-11825742-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-21 US claimed
US-20190267553-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-08-29 US claimed
US-11825742-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-21 US disclosed
US-20190267553-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-08-29 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 (2 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-20190267553-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CYP1A1, CYP2E1, CYP1B1 HPRT1 527/4885ALDH1A1 13/4885HSD17B10 1262/4885
US-11825742-B2 Heterocyclic compound and organic light-emitting device including the same CYP1A1, CYP2E1, CYP1B1 HPRT1 527/4885ALDH1A1 13/4885HSD17B10 1262/4885

“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.