SCHEMBL18200426

SCHEMBL18200426

c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cc6c(-c7ccc8ccccc8c7)nc7ccccc7c6c6ccccc56)cc4)cc3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 4/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 4/20 0.40
NTSR1 P30989 1/20 0.40
KDM4E B2RXH2 4/20 0.40
ATM Q13315 1/20 0.39
DHODH Q02127 1/20 0.39
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 3/20 0.37
TP53 P04637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACHE P22303 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
SCHEMBL18201209 1.00 ACACA (0.45) ACACACYP1A1CYP1B1MEN1KMT2A
SCHEMBL18201179 1.00 ACACA (0.45) ACACACYP1A1CYP1B1MEN1KMT2A
SCHEMBL18200891 1.00 ACACA (0.45) ACACACYP1A1CYP1B1MEN1KMT2A
SCHEMBL18200555 1.00 ACACA (0.45) ACACACYP1A1CYP1B1MEN1KMT2A
SCHEMBL18200565 1.00 ACACA (0.45) ACACACYP1A1CYP1B1MEN1KMT2A
SCHEMBL18200556 1.00 ACACA (0.45) ACACACYP1A1CYP1B1MEN1KMT2A
SCHEMBL18200559 1.00 ACACA (0.45) ACACACYP1A1CYP1B1MEN1KMT2A
SCHEMBL18346981 1.00 ACACA (0.45) ACACACYP1A1CYP1B1MEN1KMT2A
SCHEMBL18201214 1.00 ACACA (0.45) ACACACYP1A1CYP1B1MEN1KMT2A
SCHEMBL18346979 0.99 ACACA (0.46) ACACACYP1A1CYP1B1MEN1KMT2A

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 ACACA 2979/4885CYP1A1 84/4885CYP1B1 109/4885

“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.