SCHEMBL18504064

SCHEMBL18504064

c1ccc(-c2cc(-c3cc(-c4cccc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)c4)nc4ccccc34)cc3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 5/20 0.51
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
HPGD P15428 5/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MPI P34949 1/20 0.42
ACHE P22303 1/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
DHODH Q02127 1/20 0.40
AKR1C3 P42330 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
SCHEMBL18503952 0.92 ACACA (0.52) ACACAHSD17B1HSD17B2HPGDKDM4E
SCHEMBL18504059 0.92 ACACA (0.58) ACACAHPGDKDM4EALDH1A1MAPT
SCHEMBL18504060 0.90 ACACA (0.52) ACACAHPGDKDM4EALDH1A1MAPT
SCHEMBL18504013 0.90 ACACA (0.51) ACACAHSD17B1HSD17B2HPGDKDM4E
SCHEMBL18504055 0.90 ACACA (0.57) ACACAHPGDKDM4EALDH1A1MAPT
SCHEMBL18504066 0.89 ACACA (0.52) ACACAHPGDKDM4EALDH1A1MAPT
SCHEMBL18504063 0.88 ACACA (0.49) ACACAHPGDKDM4EALDH1A1MAPT
SCHEMBL18504061 0.87 ACACA (0.54) ACACAHPGDKDM4EALDH1A1MAPT
SCHEMBL18504056 0.85 HSD17B1 (0.45) ACACAHSD17B1HSD17B2HPGDKDM4E
SCHEMBL18504083 0.85 ALDH1A1 (0.53) ACACAHPGDKDM4EALDH1A1MAPT

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 ACACA 1286/4885HSD17B1 286/4885HSD17B2 709/4885
US-20170047529-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRIC DEVICE, AND DISPLAY DEVICE OXER1, OCIAD1, OCIAD2 ACACA 1286/4885HSD17B1 286/4885HSD17B2 709/4885

“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.