SCHEMBL5496843

SCHEMBL5496843

C=C(CCCCC)c1cc(C(=O)OC)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 2/20 0.49
LNPEP Q9UIQ6 2/20 0.49
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 6/20 0.49
MAPT P10636 6/20 0.49
HSD17B10 Q99714 4/20 0.49
GAA P10253 4/20 0.49
HPGD P15428 4/20 0.49
CASP1 P29466 2/20 0.49
GLA P06280 1/20 0.49
CASP7 P55210 1/20 0.49
ATM Q13315 1/20 0.49
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MGLL Q99685 4/20 0.42
HDAC1 Q13547 1/20 0.41
TLR8 Q9NR97 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL26565876 0.78 CA12 (0.51) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL21216702 0.77 ALDH1A1 (0.60) LNPEPKDM4EALDH1A1MAPTHSD17B10
SCHEMBL29691521 0.77 ALDH1A1 (0.60) LNPEPKDM4EALDH1A1MAPTHSD17B10
SCHEMBL2912873 0.76 KDM4E (0.73) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL28831138 0.75 NPC1 (0.51) ALDH1A1MAPTHPGDCASP1TSHR
SCHEMBL8420351 0.74 ALDH1A1 (0.57) ERAP2LNPEPKDM4EALDH1A1MAPT
SCHEMBL2315127 0.74 MAPT (0.64) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL1680679 0.74 ALDH1A1 (0.64) LNPEPKDM4EALDH1A1MAPTHSD17B10
SCHEMBL29615917 0.74 ALDH1A1 (0.64) LNPEPKDM4EALDH1A1MAPTHSD17B10
SCHEMBL3497730 0.74 KDM4E (0.64) KDM4EALDH1A1MAPTHSD17B10GAA

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-20070004684-A1 Alpha-Carbolines as CDK-1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-04 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-20070004684-A1 Alpha-Carbolines as CDK-1 inhibitors CDKL1, CDK1, CCNA1 ERAP2 4661/4885LNPEP 4656/4885KDM4E 521/4885

“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.