SCHEMBL3321576

SCHEMBL3321576

Cc1c(-c2ccc(O)c(N)c2)ccc(O)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
GAA P10253 8/20 0.48
HSD17B10 Q99714 6/20 0.48
ALOX15 P16050 5/20 0.48
MAPT P10636 5/20 0.48
ALOX12 P18054 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HPGD P15428 3/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 2/20 0.48
USP2 O75604 2/20 0.48
LMNA P02545 1/20 0.48
HSP90AA1 P07900 1/20 0.48
RECQL P46063 2/20 0.40
PKM P14618 2/20 0.40
HIF1A Q16665 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
THRB P10828 2/20 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
SCHEMBL12339886 0.86 POLB (0.44) ALDH1A1GAAHSD17B10ALOX15MAPT
SCHEMBL14549272 0.81 POLB (0.40) ALDH1A1GAAHSD17B10ALOX15MAPT
SCHEMBL16429287 0.80 POLB (0.56) ALDH1A1GAAHSD17B10ALOX15MAPT
Water SCHEMBL16429286 0.78 POLB (0.54) ALDH1A1GAAHSD17B10ALOX15MAPT
SCHEMBL28874324 0.77 BACE1 (0.46) ALDH1A1GAAHSD17B10ALOX15MAPT
SCHEMBL26002957 0.76 ALDH1A1 (0.47) ALDH1A1GAAHSD17B10ALOX15MAPT
SCHEMBL108713 0.75 ALDH1A1 (0.77) ALDH1A1GAAHSD17B10ALOX15MAPT
SCHEMBL28822417 0.75 ALDH1A1 (0.77) ALDH1A1GAAHSD17B10ALOX15MAPT
SCHEMBL29367250 0.75 ALDH1A1 (0.77) ALDH1A1GAAHSD17B10ALOX15MAPT
SCHEMBL416690 0.75 TDP1 (0.52) ALDH1A1GAAHSD17B10ALOX15MAPT

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-20100121020-A1 3.3'-Diamino-5,5'-Diphenyl-4,4'-Biphenyldiol and Raw Material Thereof as Well as Polybenzoxazole NIPPONKAYAKU KABUSHIKIKAISHA (JP) 2010-05-13 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-20100121020-A1 3.3'-Diamino-5,5'-Diphenyl-4,4'-Biphenyldiol and Raw Material Thereof as Well as Polybenzoxazole DDT, DDC, PBRM1 ALDH1A1 347/4885GAA 2814/4885HSD17B10 2679/4885

“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.