SCHEMBL2322033

SCHEMBL2322033

CC(C)(C)OC(=O)Nc1ccc2ccccc2c1-c1c(CO)ccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ BRD9 Q9H8M2 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ TOP2A P11388 1/20 0.37
▸ TOP2B Q02880 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL2330332 0.82 WDR5 (0.59) NQO2ALDH1A1HPGDCTSSCTSK
SCHEMBL3627335 0.81 WDR5 (0.44) ALDH1A1HPGDMEN1NPC1GAA
SCHEMBL5622577 0.80 MEN1 (0.45) NQO2ALDH1A1HPGDMEN1NPC1
SCHEMBL2400479 0.79 NCEH1 (0.46) NQO2ALDH1A1HPGDMEN1NPC1
SCHEMBL29811032 0.79 NCEH1 (0.46) NQO2ALDH1A1HPGDMEN1NPC1
SCHEMBL12268247 0.79 NCEH1 (0.46) NQO2ALDH1A1HPGDCTSSCTSK
SCHEMBL2327971 0.78 HPGD (0.46) NQO2ALDH1A1HPGDCTSSCTSK
SCHEMBL29729975 0.78 ALDH1A1 (0.50) ALDH1A1HPGDMEN1NPC1GAA
SCHEMBL646870 0.78 ALDH1A1 (0.50) ALDH1A1HPGDMEN1NPC1GAA
SCHEMBL2396852 0.78 ALDH1A1 (0.63) ALDH1A1HPGDMEN1NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251393-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME KYOTO UNIVERSITY (JP) 2011-10-13 — — US disclosed
US-20110251393-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME KYOTO UNIVERSITY (JP) 2011-10-13 — — US disclosed
EP-2357177-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME Kyoto University (JP) 2011-08-17 — — EP disclosed
EP-2357177-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME Kyoto University (JP) 2011-08-17 — — EP disclosed
WO-2010047318-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME 国立大学法人京都大学 (JP) 2010-04-29 — — WO disclosed
WO-2010047318-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME 国立大学法人京都大学 (JP) 2010-04-29 — — WO 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-20110251393-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME AADAT, AASDHPPT, AZI2 NQO2 1725/4885ALDH1A1 976/4885HPGD 1393/4885

“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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