SCHEMBL16905906

SCHEMBL16905906

c1ccc2c(c1)oc1c(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ TSHR P16473 9/20 0.44
▸ HRH4 Q9H3N8 5/20 0.44
▸ LMNA P02545 5/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ HSD17B10 Q99714 5/20 0.43
▸ CREBBP Q92793 1/20 0.43
▸ MAPT P10636 7/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPY1R P25929 1/20 0.42
▸ NPY2R P49146 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ HCRTR1 O43613 1/20 0.39
▸ TP53 P04637 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
SCHEMBL20024406 0.87 HSD17B10 (0.37) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL18852833 0.86 HSD17B10 (0.36) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL21134164 0.85 HSD17B10 (0.37) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL19162135 0.85 HSD17B10 (0.37) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL16905651 0.84 SMN1; SMN2 (0.44) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL18852827 0.83 TDP1 (0.35) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL19161762 0.83 HSD17B10 (0.38) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL19161217 0.83 HSD17B10 (0.38) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL23026650 0.83 HSD17B10 (0.36) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL22652260 0.83 TDP1 (0.37) ALDH1A1MEN1KMT2AKDM4ETSHR

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-20160351826-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2016-12-01 — — US disclosed
WO-2015105315-A1 FUSED-RING COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 삼성에스디아이 주식회사 2015-07-16 — — WO 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-20160351826-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 ALDH1A1 1905/4885MEN1 838/4885KMT2A 2013/4885

“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.

Send feedback