SCHEMBL18200779

SCHEMBL18200779

c1cc(-c2ccc(-c3cc4c(-c5ccc6ccccc6c5)nc5ccccc5c4c4ccccc34)cc2)cc(-c2cc(-c3cccnc3)nc(-c3cccnc3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.49
▸ CYP11B1 P15538 4/20 0.46
▸ CYP11B2 P19099 3/20 0.46
▸ CYP17A1 P05093 1/20 0.46
▸ DHODH Q02127 1/20 0.43
▸ CYP2C9 P11712 6/20 0.43
▸ LMNA P02545 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GBA1 P04062 1/20 0.37
▸ PGR P06401 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36

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
SCHEMBL18200644 0.97 CYP11B1 (0.47) CYP19A1CYP11B1CYP11B2CYP17A1DHODH
SCHEMBL18200634 0.97 CYP11B1 (0.47) CYP19A1CYP11B1CYP11B2CYP17A1DHODH
SCHEMBL18201082 0.97 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2CYP17A1DHODH
SCHEMBL18200689 0.94 CYP11B1 (0.46) CYP19A1CYP11B1CYP11B2CYP17A1DHODH
SCHEMBL18200642 0.91 CYP11B1 (0.47) CYP19A1CYP11B1CYP11B2CYP17A1DHODH
SCHEMBL18201309 0.91 CYP11B1 (0.46) CYP19A1CYP11B1CYP11B2CYP17A1DHODH
SCHEMBL18201203 0.90 CYP11B1 (0.45) CYP19A1CYP11B1CYP11B2CYP17A1DHODH
SCHEMBL18200778 0.90 KDM4E (0.47) DHODHCYP2C9LMNAKDM4EALDH1A1
SCHEMBL18200343 0.89 CYP11B1 (0.47) CYP19A1CYP11B1CYP11B2CYP17A1CYP2C9
SCHEMBL18200688 0.89 ACACA (0.41) DHODHKDM4EALDH1A1MAPTHPGD

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 CYP19A1 371/4885CYP11B1 1123/4885CYP11B2 750/4885

“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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