SCHEMBL18200484

SCHEMBL18200484

c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4cc5c(-c6ccc7ccccc7c6)nc6ccccc6c5c5ccccc45)n3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
CYP1A2 P05177 3/20 0.43
CTRC Q99895 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
NPC1 O15118 2/20 0.38
NFKB1 P19838 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
PIM1 P11309 1/20 0.38
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL18200975 0.96 CYP1A1 (0.47) CYP1A1CYP1B1CYP1A2CTRCMEN1
SCHEMBL18200553 0.92 CYP1A1 (0.43) CYP1A1CYP1B1CYP1A2CTRCMEN1
SCHEMBL18201167 0.91 CYP1A1 (0.42) CYP1A1CYP1B1CYP1A2CTRCMEN1
SCHEMBL18200424 0.91 CYP1A1 (0.45) CYP1A1CYP1B1CYP1A2CTRCMEN1
SCHEMBL18200589 0.90 NPC1 (0.43) CYP1A1CYP1B1CYP1A2CTRCMEN1
SCHEMBL18200989 0.90 CYP1A1 (0.35) CYP1A1CYP1B1CYP1A2CTRCMEN1
SCHEMBL18346983 0.90 CYP1A1 (0.44) CYP1A1CYP1B1CYP1A2CTRCMEN1
SCHEMBL18200461 0.90 TSHR (0.46) CYP1A1CYP1B1CTRCMEN1KMT2A
SCHEMBL18200590 0.90 MEN1 (0.46) CYP1A1CYP1B1CYP1A2MEN1KMT2A
SCHEMBL18200516 0.89 CYP1A1 (0.43) CYP1A1CYP1B1CYP1A2CTRCMEN1

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 CYP1A1 84/4885CYP1B1 109/4885CYP1A2 134/4885

“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.