SCHEMBL18200921

SCHEMBL18200921

c1ccc(-c2cn3ccc(-c4ccc(-c5cc6c(-c7ccc8ccccc8c7)nc7ccccc7c6c6ccccc56)cc4)cc3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.42
▸ TLR9 Q9NR96 2/20 0.40
▸ PDE10A Q9Y233 2/20 0.39
▸ ALDH1A3 P47895 6/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ ALDH1A2 O94788 2/20 0.38
▸ PLK4 O00444 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ RET P07949 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ ALK Q9UM73 1/20 0.37
▸ ACACA Q13085 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35

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
SCHEMBL18200677 0.95 TLR9 (0.39) SCDTLR9PDE10AALDH1A3ALDH1A1
SCHEMBL18200919 0.90 RAB9A (0.45) ALDH1A3ALDH1A1ALDH1A2SMN1; SMN2TP53
SCHEMBL18200657 0.89 BACE1 (0.43) ALDH1A3ALDH1A1ALDH1A2SMN1; SMN2TP53
SCHEMBL18200933 0.89 BACE1 (0.45) ALDH1A1SMN1; SMN2TP53NPC1PKM
SCHEMBL18346995 0.88 ALDH1A3 (0.53) ALDH1A3ALDH1A1ALDH1A2ACACASMN1; SMN2
SCHEMBL18200659 0.85 BACE1 (0.46) ALDH1A1SMN1; SMN2TP53NPC1PKM
SCHEMBL18200437 0.85 SCD (0.46) SCDTLR9PDE10AALDH1A3ALDH1A1
SCHEMBL18200666 0.84 ALDH1A3 (0.48) ALDH1A3ALDH1A1ALDH1A2SMN1; SMN2TP53
SCHEMBL21934584 0.83 SCD (0.46) SCDTLR9PDE10AALDH1A3ALDH1A1
SCHEMBL18201085 0.83 TLR9 (0.44) SCDTLR9PDE10AALDH1A3ALDH1A1

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-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 — — US disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 — — US disclosed
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2016-12-29 — — US disclosed
EP-3088392-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2016-11-02 — — EP 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-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 SCD 976/4885TLR9 4120/4885PDE10A 3021/4885

“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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