SCHEMBL4084359

SCHEMBL4084359

CNC(=O)c1ccc(CNCC(=O)C23CC4CC(CC(C4)C2)C3)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 3/20 0.39
HSD11B1 P28845 3/20 0.38
PARP1 P09874 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HPGD P15428 4/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMYD3 Q9H7B4 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL3323602 0.76 HSD11B1 (0.58) HSD11B1PARP1GPR55KMT2AMEN1
SCHEMBL5331437 0.76 PARP1 (0.37) ALDH1A1TSHRKDM4EHSD11B1PARP1
SCHEMBL12319896 0.73 HSD11B1 (0.59) ALDH1A1TSHRHSD11B1HPGDKMT2A
SCHEMBL4206345 0.70 HPGD (0.64) ALDH1A1TSHRHSD11B1HPGDKMT2A
SCHEMBL10775431 0.69 ALDH1A1 (0.66) ALDH1A1TSHRKDM4EHSD11B1KMT2A
Bromide SCHEMBL10778536 0.68 ALDH1A1 (0.64) ALDH1A1TSHRKDM4EKMT2AMEN1
SCHEMBL11471858 0.67 HPGD (0.50) ALDH1A1TSHRKDM4EPARP1HPGD
SCHEMBL12181191 0.67 RAB9A (0.58) ALDH1A1TSHRKDM4EPARP1HPGD
SCHEMBL12216734 0.64 KDM4E (0.62) ALDH1A1TSHRKDM4EHPGDKMT2A
SCHEMBL3749708 0.63 P2RX7 (0.51) ALDH1A1KMT2AMEN1

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-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 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-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 ALDH1A1 437/4885TSHR 335/4885KDM4E 1839/4885

“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.