SCHEMBL18201211

SCHEMBL18201211

c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5nc6ccccc6c6c5ccc5ccccc56)c4)n3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HPGD P15428 6/20 0.43
MAPT P10636 5/20 0.43
KDM4E B2RXH2 5/20 0.43
LMNA P02545 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
PTGES O14684 1/20 0.40
ACHE P22303 1/20 0.38
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NPY1R P25929 1/20 0.38
HTT P42858 1/20 0.38
NPY2R P49146 1/20 0.38
DHODH Q02127 1/20 0.37
NQO2 P16083 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37

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
SCHEMBL18200397 1.00 ALDH1A1 (0.43) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL18201100 1.00 ALDH1A1 (0.43) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL18200587 1.00 ALDH1A1 (0.43) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL18201130 0.99 ALDH1A1 (0.43) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL18200398 0.99 ALDH1A1 (0.41) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL18200586 0.99 ALDH1A1 (0.41) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL18201105 0.99 ALDH1A1 (0.41) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL18201216 0.99 ALDH1A1 (0.41) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL18200349 0.97 PTGES (0.42) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL18201133 0.97 PTGES (0.42) ALDH1A1HPGDMAPTKDM4ELMNA

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 ALDH1A1 85/4885HPGD 421/4885MAPT 1937/4885

“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.