SCHEMBL18200712

SCHEMBL18200712

c1cc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)nc(-c2nc3ccccc3c3c2ccc2ccccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
PIM1 P11309 1/20 0.34
CYP1A2 P05177 2/20 0.33
PTGES O14684 1/20 0.33
BCL2L1 Q07817 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTRC Q99895 1/20 0.33
ALDH1A1 P00352 5/20 0.32
MAPT P10636 4/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 3/20 0.32
NPC1 O15118 2/20 0.32
NFKB1 P19838 2/20 0.32
RAB9A P51151 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32

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
SCHEMBL18200905 0.93 CYP1A1 (0.39) CYP1A1CYP1B1PIM1CYP1A2MEN1
SCHEMBL12578139 0.89 ESR1 (0.38) ESR1ESR2CYP1A1CYP1B1PIM1
SCHEMBL18200808 0.87 ESR1 (0.35) ESR1ESR2CYP1A1CYP1B1PIM1
SCHEMBL18200990 0.86 ESR1 (0.40) ESR1ESR2ALDH1A1MAPTKDM4E
SCHEMBL18200488 0.85 ESR1 (0.38) ESR1ESR2MEN1KMT2AMAPT
SCHEMBL18200533 0.84 KDM4E (0.36) ESR1ESR2ALDH1A1MAPTKDM4E
SCHEMBL18200979 0.84 ESR1 (0.42) ESR1ESR2CYP1A1CYP1B1ALDH1A1
SCHEMBL18200486 0.84 ESR1 (0.44) ESR1ESR2LMNA
SCHEMBL15977437 0.83 CYP1A2 (0.45) ESR1ESR2CYP1A1CYP1B1PIM1
SCHEMBL18201182 0.83 AURKA (0.38) CYP1A1CYP1B1PIM1CYP1A2PTGES

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 ESR1 207/4885ESR2 1442/4885CYP1A1 84/4885

“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.