SCHEMBL18504086

SCHEMBL18504086

c1cc(-c2cccc(-c3cc(-c4cc(-c5ccncc5)ccn4)c4ccccc4n3)c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.50
DHODH Q02127 3/20 0.47
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
IMPDH2 P12268 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ACACA Q13085 3/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
ALK Q9UM73 1/20 0.41
MKNK1 Q9BUB5 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL18504088 0.96 ACACA (0.44) PIK3CADHODHHPGDMAPK1LMNA
SCHEMBL18503983 0.94 DHODH (0.49) PIK3CADHODHALDH1A1KDM4EMAPT
SCHEMBL18504035 0.92 DHODH (0.48) PIK3CADHODHALDH1A1KDM4EMAPT
SCHEMBL18504089 0.90 ALDH1A1 (0.52) PIK3CADHODHALDH1A1KDM4EMAPT
SCHEMBL18503980 0.90 TSHR (0.48) PIK3CADHODHALDH1A1KDM4EMAPT
SCHEMBL18504083 0.89 ALDH1A1 (0.53) PIK3CADHODHALDH1A1KDM4EMAPT
SCHEMBL18504030 0.88 TSHR (0.47) PIK3CADHODHALDH1A1KDM4EMAPT
SCHEMBL18504093 0.85 ALDH1A1 (0.48) PIK3CADHODHALDH1A1KDM4EMAPT
SCHEMBL18503976 0.84 ALDH1A1 (0.57) PIK3CADHODHALDH1A1KDM4EMAPT
SCHEMBL18504090 0.83 ACACA (0.48) DHODHALDH1A1KDM4EMAPTHPGD

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 PIK3CA 966/4885DHODH 466/4885ALDH1A1 129/4885
US-20170047529-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRIC DEVICE, AND DISPLAY DEVICE OXER1, OCIAD1, OCIAD2 PIK3CA 966/4885DHODH 466/4885ALDH1A1 129/4885

“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.