SCHEMBL17426508

SCHEMBL17426508

Cc1cc(C)c(-c2ccc(-c3cccc(Br)c3)nc2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
GAA P10253 4/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
IDO1 P14902 1/20 0.42
METAP2 P50579 1/20 0.42
HSP90AA1 P07900 1/20 0.40
ALOX15 P16050 1/20 0.40
MGAM O43451 3/20 0.39
SI P14410 3/20 0.39
MGAM2 Q2M2H8 3/20 0.39
RAPGEF4 Q8WZA2 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
SCHEMBL22183174 0.91 HSD17B1 (0.45) BIRC5HSD17B1HSD17B2RAB9ANPC1
SCHEMBL22362215 0.83 PSMB5 (0.49) HSD17B1HSD17B2RAB9ANPC1KDM4E
SCHEMBL17426510 0.82 HSD17B1 (0.43) HSD17B1HSD17B2KDM1APSMB5
SCHEMBL2482706 0.81 CYP3A4 (0.54) BIRC5HSD17B1HSD17B2RAB9ANPC1
SCHEMBL17209586 0.81 ALDH1A1 (0.52) BIRC5RAB9ANPC1GAAKDM4E
SCHEMBL16743582 0.81 CCR1 (0.48) HSD17B1HSD17B2SMN1; SMN2MAPTMEN1
SCHEMBL17426506 0.79 IKBKB (0.41) BIRC5RAB9ANPC1GAAKDM4E
SCHEMBL22660886 0.78 HSD17B1 (0.54) BIRC5HSD17B1HSD17B2RAB9ANPC1
SCHEMBL12622323 0.76 CCR1 (0.39) HSD17B1HSD17B2RAB9ANPC1KDM4E
SCHEMBL1925054 0.76 IDO1 (0.53) BIRC5HSD17B1HSD17B2RAB9ANPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180097189-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-04-05 US disclosed
US-9865826-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-01-09 US disclosed
US-20160013431-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-01-14 US disclosed
US-20160013431-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-01-14 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-20180097189-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LEF1, CRY1, CYP1A1 BIRC5 3379/4885HSD17B1 1113/4885HSD17B2 1451/4885
US-20160013431-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LEF1, CRY1, CYP1A1 BIRC5 3379/4885HSD17B1 1113/4885HSD17B2 1451/4885

“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.