SCHEMBL18201016

SCHEMBL18201016

c1ccc(-c2cccc(-c3cc(-c4ccc(-c5cccc(-c6cc7c(-c8ccc9ccccc9c8)nc8ccccc8c7c7ccccc67)c5)cc4)nc(-c4ccccc4)n3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
ACACA Q13085 4/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 4/20 0.39
KDM4E B2RXH2 4/20 0.39
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
NTSR1 P30989 1/20 0.37
CYP1A2 P05177 2/20 0.36
ATM Q13315 1/20 0.36
DHODH Q02127 1/20 0.36
CTRC Q99895 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PIM1 P11309 1/20 0.35
ADORA2A P29274 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
SCHEMBL18200785 1.00 CYP1A1 (0.43) CYP1A1CYP1B1ACACAMEN1KMT2A
SCHEMBL18200788 1.00 CYP1A1 (0.43) CYP1A1CYP1B1ACACAMEN1KMT2A
SCHEMBL18200800 0.99 CYP1A1 (0.41) CYP1A1CYP1B1ACACAMEN1KMT2A
SCHEMBL18200809 0.99 CYP1A1 (0.41) CYP1A1CYP1B1ACACAMEN1KMT2A
SCHEMBL18201004 0.99 CYP1A1 (0.44) CYP1A1CYP1B1ACACAMEN1KMT2A
SCHEMBL18201014 0.99 CYP1A1 (0.41) CYP1A1CYP1B1ACACAMEN1KMT2A
SCHEMBL18201005 0.99 CYP1A1 (0.41) CYP1A1CYP1B1ACACAMEN1KMT2A
SCHEMBL18200512 0.99 CYP1A1 (0.44) CYP1A1CYP1B1ACACAMEN1KMT2A
SCHEMBL18200513 0.99 CYP1A1 (0.44) CYP1A1CYP1B1ACACAMEN1KMT2A
SCHEMBL18201017 0.98 CYP1A1 (0.43) CYP1A1CYP1B1ACACAMEN1KMT2A

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 109/4885ACACA 2979/4885

“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.