SCHEMBL22040656

SCHEMBL22040656

c1ccc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)nc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
HPGDS O60760 2/20 0.49
NPC1 O15118 2/20 0.46
NFKB1 P19838 2/20 0.46
RAB9A P51151 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LDHA P00338 1/20 0.46
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 3/20 0.45
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP19A1 P11511 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41

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
SCHEMBL12956772 1.00 HSD17B1 (0.53) HSD17B1HSD17B2HPGDSNPC1NFKB1
SCHEMBL13910992 0.98 HSD17B1 (0.55) HSD17B1HSD17B2HPGDSNPC1NFKB1
SCHEMBL12957108 0.93 HSD17B1 (0.50) HSD17B1HSD17B2HPGDSNPC1NFKB1
SCHEMBL13910991 0.91 HSD17B1 (0.63) HSD17B1HSD17B2HPGDSNPC1NFKB1
SCHEMBL23809574 0.91 HPGDS (0.53) HSD17B1HSD17B2HPGDSNPC1RAB9A
SCHEMBL25614332 0.91 CYP19A1 (0.51) HSD17B1HSD17B2HPGDSNPC1RAB9A
SCHEMBL20755791 0.91 CYP19A1 (0.51) HSD17B1HSD17B2HPGDSNPC1RAB9A
SCHEMBL12957239 0.89 HSD17B1 (0.67) HSD17B1HSD17B2HPGDSNPC1NFKB1
SCHEMBL18327319 0.89 MEN1 (0.47) HSD17B1HSD17B2HPGDSNPC1NFKB1
SCHEMBL18327643 0.89 MEN1 (0.47) HSD17B1HSD17B2HPGDSNPC1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200168817-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2020-05-28 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 (1 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-20200168817-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME ORC3, PPOX, ORMDL3 HSD17B1 2516/4885HSD17B2 2343/4885HPGDS 4352/4885

“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.