SCHEMBL2140405

SCHEMBL2140405

O=c1oc2ccccc2cc1C1=[C]Oc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
RAB9A P51151 7/20 0.49
KDM4E B2RXH2 5/20 0.49
MAOB P27338 4/20 0.49
HPGD P15428 6/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
NPC1 O15118 6/20 0.45
GAA P10253 3/20 0.45
GAPDH P04406 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 4/20 0.44
GLA P06280 3/20 0.44
TP53 P04637 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44

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
SCHEMBL7657314 0.81 MAOB (0.43) ALDH1A1RAB9AKDM4EMAOBHPGD
SCHEMBL29517170 0.73 RAB9A (0.78) ALDH1A1RAB9AKDM4EMAOBHPGD
SCHEMBL30417366 0.70 RAB9A (0.68) ALDH1A1RAB9AKDM4EMAOBHPGD
SCHEMBL7450648 0.69 NPC1 (0.42) ALDH1A1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL2426313 0.68 ALDH1A1 (0.51) ALDH1A1RAB9AKDM4EMAOBHPGD
SCHEMBL30356319 0.67 RAB9A (1.00) ALDH1A1RAB9AKDM4EMAOBHPGD
SCHEMBL177366 0.67 RAB9A (1.00) ALDH1A1RAB9AKDM4EMAOBHPGD
SCHEMBL7573347 0.66 ALDH1A1 (0.53) ALDH1A1RAB9AKDM4EMAOBHPGD
SCHEMBL11613016 0.66 MAOB (0.41) ALDH1A1RAB9AKDM4EMAOBHPGD
SCHEMBL23212283 0.65 RAB9A (0.75) ALDH1A1RAB9AKDM4EMAOBHPGD

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-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2011-03-03 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-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 ALDH1A1 3599/4885RAB9A 4016/4885KDM4E 3689/4885

“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.