SCHEMBL20230729

SCHEMBL20230729

Brc1ccc2c(c1)Oc1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1O2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 3/20 0.59
▸ NR1H4 Q96RI1 1/20 0.46
▸ MEN1 O00255 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ PKM P14618 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ DGAT1 O75907 1/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ MAPK1 P28482 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
SCHEMBL22080731 0.90 MEN1 (0.48) AHRNR1H4MEN1KMT2ASMN1; SMN2
SCHEMBL22080415 0.89 AHR (0.47) AHRNR1H4MEN1KMT2ASMN1; SMN2
SCHEMBL22080470 0.87 AHR (0.46) AHRNR1H4MEN1KMT2ASMN1; SMN2
SCHEMBL27277654 0.84 AHR (0.70) AHRNR1H4MEN1KMT2ASMN1; SMN2
SCHEMBL16863585 0.84 AHR (0.70) AHRNR1H4MEN1KMT2ASMN1; SMN2
SCHEMBL28518163 0.84 AHR (0.49) AHRNR1H4MEN1KMT2AALDH1A1
SCHEMBL22043034 0.84 AHR (0.43) AHRNR1H4MEN1KMT2ASMN1; SMN2
SCHEMBL22043035 0.84 AHR (0.46) AHRNR1H4MEN1KMT2ASMN1; SMN2
SCHEMBL22080725 0.83 MEN1 (0.43) AHRMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL22080783 0.82 L3MBTL1 (0.42) AHRNR1H4MEN1KMT2ASMN1; SMN2

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-20180159050-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-07 — — 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-20180159050-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNE2, CCNT1 AHR 3189/4885NR1H4 4822/4885MEN1 666/4885

“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.

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