SCHEMBL18504029

SCHEMBL18504029

c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5cc6ccccc6c(-c6ccccc6-c6ccncc6)n5)c4)c3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
IMPDH2 P12268 2/20 0.43
TNF P01375 1/20 0.42
MAPK1 P28482 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PIK3CA P42336 1/20 0.41
MAPK11 Q15759 2/20 0.41
MAPK14 Q16539 2/20 0.41
PRKCH P24723 1/20 0.40
PRKCE Q02156 1/20 0.40
SQOR Q9Y6N5 1/20 0.40
NOTUM Q6P988 1/20 0.40
SMN1; SMN2 Q16637 2/20 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
SCHEMBL18504151 0.99 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EHPGDIMPDH2
SCHEMBL18504000 0.93 KDM4E (0.39) ALDH1A1MAPTKDM4EHPGDTNF
SCHEMBL18503944 0.92 KDM4E (0.40) ALDH1A1MAPTKDM4EHPGDTNF
SCHEMBL18504159 0.90 KDM4E (0.41) ALDH1A1MAPTKDM4EHPGDIMPDH2
SCHEMBL18504021 0.89 MKNK1 (0.46) ALDH1A1MAPTKDM4EHPGDIMPDH2
SCHEMBL18504023 0.88 MKNK1 (0.48) ALDH1A1MAPTKDM4EHPGDIMPDH2
SCHEMBL18503979 0.88 MKNK1 (0.47) ALDH1A1MAPTKDM4EHPGDIMPDH2
SCHEMBL18503964 0.86 MKNK1 (0.49) ALDH1A1MAPTKDM4EHPGDIMPDH2
SCHEMBL18503995 0.85 KDM4E (0.39) ALDH1A1MAPTKDM4EHPGDTNF
SCHEMBL18504024 0.84 PIK3CA (0.41) ALDH1A1MAPTKDM4EHPGDIMPDH2

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 129/4885MAPT 1518/4885KDM4E 4289/4885
US-20170047529-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRIC DEVICE, AND DISPLAY DEVICE OXER1, OCIAD1, OCIAD2 ALDH1A1 129/4885MAPT 1518/4885KDM4E 4289/4885

“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.