SCHEMBL18317872

SCHEMBL18317872

NC(=O)c1cccc(-c2ccc(-c3cccc(C(N)=O)c3O)cc2)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.60
BCAT2 O15382 1/20 0.59
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PLAU P00749 1/20 0.47
PLAT P00750 1/20 0.47
PARP1 P09874 2/20 0.43
PDK2 Q15119 1/20 0.42
IKBKB O14920 2/20 0.41
CHUK O15111 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL1892489 0.94 HNF4A (0.55) HNF4ABCAT2KEAP1NFE2L2KDM4E
SCHEMBL3453931 0.93 HNF4A (0.53) HNF4ABCAT2KEAP1NFE2L2KDM4E
SCHEMBL29838619 0.92 HNF4A (0.72) HNF4ABCAT2KEAP1NFE2L2KDM4E
SCHEMBL8888647 0.92 HNF4A (0.72) HNF4ABCAT2KEAP1NFE2L2KDM4E
SCHEMBL29089489 0.89 HNF4A (0.59) HNF4ABCAT2KEAP1NFE2L2PLAU
SCHEMBL18317987 0.88 HNF4A (0.56) HNF4ABCAT2KEAP1NFE2L2KDM4E
SCHEMBL27779618 0.87 HDAC4 (0.58) HNF4ABCAT2PARP1IKBKBHDAC4
SCHEMBL18317957 0.85 ALDH1A1 (0.56) HNF4ABCAT2KEAP1NFE2L2KDM4E
SCHEMBL30100407 0.83 ALOX5AP (0.47) HNF4ABCAT2KEAP1NFE2L2KDM4E
SCHEMBL31303736 0.82 MYC (0.58) HNF4ABCAT2KEAP1NFE2L2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896465-B2 Phosphonium compound, preparation method thereof, epoxy resin composition including the same, and semiconductor device prepared by using the same SAMSUNG SDI CO., LTD. (KR) 2018-02-20 US disclosed
US-20160368937-A1 PHOSPHONIUM COMPOUND, PREPARATION METHOD THEREOF, EPOXY RESIN COMPOSITION INCLUDING THE SAME, AND SEMICONDUCTOR DEVICE PREPARED BY USING THE SAME SAMSUNG SDI CO., LTD. (KP) 2016-12-22 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-20160368937-A1 PHOSPHONIUM COMPOUND, PREPARATION METHOD THEREOF, EPOXY RESIN COMPOSITION INCLUDING THE SAME, AND SEMICONDUCTOR DEVICE PREPARED BY USING THE SAME PHOSPHO1, PPA1, ASH2L HNF4A 4793/4885BCAT2 3850/4885KEAP1 1710/4885

“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.