SCHEMBL24609706

SCHEMBL24609706

c1ccc(-c2ccc3ccc4c5ccc(-c6ccc7nc(-c8ccccc8)cn7c6)cc5nc(-c5ccccc5)c4c3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A3 P47895 13/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ ALDH1A2 O94788 1/20 0.52
▸ SLC2A1 P11166 1/20 0.48
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NR4A2 P43354 5/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL24609594 0.94 ALDH1A3 (0.52) ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1
SCHEMBL24609810 0.93 ALDH1A3 (0.56) ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1
SCHEMBL24609701 0.90 RAB9A (0.44) ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1
SCHEMBL24609828 0.89 ALDH1A3 (0.54) ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1
SCHEMBL24609815 0.89 ALDH1A3 (0.47) ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1
SCHEMBL24609707 0.88 TLR9 (0.42) ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1
SCHEMBL24609702 0.88 BACE1 (0.44) ALDH1A1NPC1RAB9AKDM4ETP53
SCHEMBL24609753 0.84 ALDH1A3 (0.56) ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1
SCHEMBL24609792 0.83 PARP1 (0.37) ALDH1A1RAB9AKDM4ETP53KMT2A
SCHEMBL24609866 0.82 DHFR (0.40) RAB9AKDM4ETP53KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213098-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2022-07-07 — — 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-20220213098-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 ALDH1A3 177/4885ALDH1A1 8/4885ALDH1A2 31/4885

“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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