SCHEMBL21928893

SCHEMBL21928893

O=C(c1ccccc1)N1CCCC([C@@H](O)c2cccc(Cl)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
HSD11B1 P28845 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
KDM4E B2RXH2 1/20 0.47
RHOA P61586 1/20 0.45
GLA P06280 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FABP4 P15090 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL21926852 1.00 ALDH1A1 (0.54) ALDH1A1HSD11B1L3MBTL1KDM4ERHOA
SCHEMBL21926398 1.00 ALDH1A1 (0.54) ALDH1A1HSD11B1L3MBTL1KDM4ERHOA
SCHEMBL21928908 0.93 ALDH1A1 (0.60) ALDH1A1HSD11B1L3MBTL1KDM4ERHOA
SCHEMBL21926839 0.93 ALDH1A1 (0.60) ALDH1A1HSD11B1L3MBTL1KDM4ERHOA
SCHEMBL21928907 0.93 ALDH1A1 (0.60) ALDH1A1HSD11B1L3MBTL1KDM4ERHOA
SCHEMBL971535 0.88 ALDH1A1 (0.44) ALDH1A1L3MBTL1KDM4EFABP4
SCHEMBL3317847 0.88 ALDH1A1 (0.44) ALDH1A1L3MBTL1KDM4EFABP4
SCHEMBL3317851 0.88 ALDH1A1 (0.44) ALDH1A1L3MBTL1KDM4EFABP4
SCHEMBL971537 0.88 ALDH1A1 (0.44) ALDH1A1L3MBTL1KDM4EFABP4
SCHEMBL27737881 0.88 ALDH1A1 (0.44) ALDH1A1L3MBTL1KDM4EFABP4

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-20200131125-A1 ARYL-PIPERIDINE DERIVATIVES ARTAX BIOPHARMA INC. 2020-04-30 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-20200131125-A1 ARYL-PIPERIDINE DERIVATIVES CD4, CD2, CCR1 ALDH1A1 1450/4885HSD11B1 4689/4885L3MBTL1 2526/4885

“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.