SCHEMBL18504056

SCHEMBL18504056

c1ccc(-c2cc(-c3nc(-c4cccc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)c4)cc4ccccc34)cc3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 1/20 0.41
MPI P34949 1/20 0.41
KMT2A Q03164 1/20 0.41
ACACA Q13085 3/20 0.39
CYP11B1 P15538 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
PIM1 P11309 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL18503949 0.92 KDM4E (0.45) HSD17B1HSD17B2KDM4EALDH1A1MAPT
SCHEMBL18503999 0.91 KDM4E (0.44) HSD17B1HSD17B2KDM4EALDH1A1MAPT
SCHEMBL18504062 0.89 IDO1 (0.37) HSD17B1HSD17B2KDM4EALDH1A1MAPT
SCHEMBL18504048 0.89 KDM4E (0.41) HSD17B1HSD17B2KDM4EALDH1A1MAPT
SCHEMBL18504052 0.88 CA12 (0.43) HSD17B1HSD17B2KDM4EALDH1A1MAPT
SCHEMBL18504053 0.88 IDO1 (0.38) HSD17B1HSD17B2KDM4EALDH1A1MAPT
SCHEMBL18504050 0.88 KDM4E (0.40) HSD17B1HSD17B2KDM4EALDH1A1MAPT
SCHEMBL18504057 0.86 HSD17B1 (0.40) HSD17B1HSD17B2KDM4EALDH1A1MAPT
SCHEMBL18504049 0.86 HSD17B1 (0.40) HSD17B1HSD17B2KDM4EALDH1A1MAPT
SCHEMBL18504064 0.85 ACACA (0.51) 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 HSD17B1 286/4885HSD17B2 709/4885KDM4E 4289/4885
US-20170047529-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRIC DEVICE, AND DISPLAY DEVICE OXER1, OCIAD1, OCIAD2 HSD17B1 286/4885HSD17B2 709/4885KDM4E 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.