SCHEMBL18504083

SCHEMBL18504083

c1cc(-c2cccc(-c3cc(-c4ccncc4)c4ccccc4n3)c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 4/20 0.53
MAPT P10636 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPK1 P28482 2/20 0.53
LMNA P02545 1/20 0.53
RECQL P46063 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ACACA Q13085 4/20 0.52
HPGD P15428 4/20 0.51
DHODH Q02127 2/20 0.49
PIK3CA P42336 1/20 0.49
IMPDH2 P12268 1/20 0.48
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TOP1 P11387 2/20 0.42

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
SCHEMBL18504089 0.99 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL18504093 0.93 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL18503976 0.93 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL18504059 0.93 ACACA (0.58) ALDH1A1KDM4EMAPTMAPK1LMNA
SCHEMBL18504032 0.92 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL18504055 0.91 ACACA (0.57) ALDH1A1KDM4EMAPTMAPK1LMNA
SCHEMBL18503981 0.91 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL18504031 0.90 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL18504086 0.89 PIK3CA (0.50) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL18504061 0.88 ACACA (0.54) ALDH1A1KDM4EMAPTMAPK1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10446764-B2 Organic compound, composition, organic optoelectric device, and display device SAMSUNG SDI CO., LTD. (KR) 2019-10-15 US disclosed
US-20170047529-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-02-16 US disclosed
US-20170047529-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-02-16 US 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 (2 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-10446764-B2 Organic compound, composition, organic optoelectric device, and display device OXER1, OCIAD1, OCIAD2 ALDH1A1 129/4885KDM4E 4289/4885MAPT 1518/4885
US-20170047529-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRIC DEVICE, AND DISPLAY DEVICE OXER1, OCIAD1, OCIAD2 ALDH1A1 129/4885KDM4E 4289/4885MAPT 1518/4885

“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.