SCHEMBL18200815

SCHEMBL18200815

c1ccc(-c2cc(-c3cccc(-c4cc5c(-c6ccc7ccccc7c6)nc6ccccc6c5c5ccccc45)c3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACA Q13085 4/20 0.41
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ADORA2A P29274 4/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ CTRC Q99895 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ PIM1 P11309 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL18200688 0.99 ACACA (0.41) ACACACYP1A1CYP1B1KDM4EHPGD
SCHEMBL18200617 0.95 KDM4E (0.46) ACACACYP1A1CYP1B1KDM4EHPGD
SCHEMBL18200616 0.95 KDM4E (0.46) ACACACYP1A1CYP1B1KDM4EHPGD
SCHEMBL18201090 0.93 ACACA (0.46) ACACACYP1A1CYP1B1KDM4EHPGD
SCHEMBL18201084 0.93 ACACA (0.46) ACACACYP1A1CYP1B1KDM4EHPGD
SCHEMBL18346937 0.93 ACACA (0.45) ACACACYP1A1CYP1B1KDM4EHPGD
SCHEMBL18200778 0.92 KDM4E (0.47) ACACACYP1A1CYP1B1KDM4EHPGD
SCHEMBL18201004 0.91 CYP1A1 (0.44) ACACACYP1A1CYP1B1KDM4EHPGD
SCHEMBL18201014 0.91 CYP1A1 (0.41) ACACACYP1A1CYP1B1KDM4EHPGD
SCHEMBL18201005 0.91 CYP1A1 (0.41) ACACACYP1A1CYP1B1KDM4EHPGD

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 ACACA 2979/4885CYP1A1 84/4885CYP1B1 109/4885

“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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