SCHEMBL18504052

SCHEMBL18504052

c1cc(-c2cccc(-c3cc4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)n3)c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
PIM1 P11309 1/20 0.38
TNF P01375 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
MPI P34949 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.35

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
SCHEMBL18504054 0.95 CA12 (0.40) CA12CA1CA2CA9ENPP3
SCHEMBL18503969 0.92 CA12 (0.48) CA12CA1CA2CA9ENPP3
SCHEMBL18503997 0.90 CA12 (0.47) CA12CA1CA2CA9ENPP3
SCHEMBL18504048 0.90 KDM4E (0.41) HSD17B1HSD17B2KDM4EALDH1A1MAPT
SCHEMBL18504050 0.89 KDM4E (0.40) HSD17B1HSD17B2KDM4EALDH1A1MAPT
SCHEMBL18504056 0.88 HSD17B1 (0.45) CA12CA1CA2CA9PIM1
SCHEMBL18504057 0.88 HSD17B1 (0.40) CA12CA1CA2CA9ENPP3
SCHEMBL18504049 0.88 HSD17B1 (0.40) CA12CA1CA2CA9ENPP3
SCHEMBL18504053 0.86 IDO1 (0.38) HSD17B1HSD17B2KDM4EALDH1A1MAPT
SCHEMBL18504077 0.85 MKNK1 (0.43) HSD17B1HSD17B2KDM4EALDH1A1MAPT

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 CA12 1233/4885CA1 2514/4885CA2 1933/4885
US-20170047529-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRIC DEVICE, AND DISPLAY DEVICE OXER1, OCIAD1, OCIAD2 CA12 1233/4885CA1 2514/4885CA2 1933/4885

“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.