SCHEMBL22970366

SCHEMBL22970366

c1ccc2cc(-c3ccc4ccc(-c5ccc6ccc(-c7cccc8ncccc78)nc6c5)nc4c3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.44
ACVR1 Q04771 3/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 2/20 0.41
AR P10275 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
FTO Q9C0B1 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
FYN P06241 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 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
SCHEMBL24475494 1.00 ERN1 (0.44) ERN1ACVR1NPC1RAB9APOLB
SCHEMBL22281645 0.96 NPC1 (0.46) ERN1ACVR1NPC1RAB9APOLB
SCHEMBL23016135 0.93 NPC1 (0.49) ERN1ACVR1NPC1RAB9APOLB
SCHEMBL22970361 0.91 ACVR1 (0.46) ERN1ACVR1CA12CA1CA2
SCHEMBL24475575 0.91 CYP3A4 (0.47) ERN1ACVR1NPC1RAB9APOLB
SCHEMBL22970369 0.90 ACVR1 (0.48) ERN1ACVR1NPC1RAB9ACYP3A4
SCHEMBL22281885 0.90 TOP1 (0.47) ERN1ACVR1NPC1FTOKDM5B
SCHEMBL24475636 0.89 POLB (0.48) ERN1ACVR1NPC1RAB9APOLB
SCHEMBL19767984 0.89 ERN1 (0.45) ERN1ACVR1NPC1RAB9APOLB
SCHEMBL24475635 0.88 LMNA (0.43) ERN1ACVR1NPC1RAB9APOLB

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-20220165962-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME LT MATERIALS CO., LTD. (KR) 2022-05-26 US disclosed
WO-2021025356-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME 엘티소재주식회사 2021-02-11 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-20220165962-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME CRY1, CYP1A1, CYP1B1 ERN1 1880/4885ACVR1 966/4885NPC1 2848/4885

“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.