SCHEMBL3319986

SCHEMBL3319986

CC1(C(=O)NCc2cccs2)CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.58
ALDH1A1 P00352 7/20 0.58
POLB P06746 3/20 0.58
KDM4E B2RXH2 2/20 0.58
HSD11B1 P28845 2/20 0.58
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
USP2 O75604 1/20 0.50
METAP2 P50579 1/20 0.50

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
SCHEMBL13333114 0.93 HSD11B1 (0.59) HPGDALDH1A1POLBKDM4EHSD11B1
SCHEMBL3323868 0.86 HSD11B1 (0.59) HPGDALDH1A1POLBKDM4EHSD11B1
SCHEMBL3321983 0.78 HSD11B1 (0.61) HPGDALDH1A1POLBHSD11B1LMNA
SCHEMBL14142610 0.76 LMNA (0.80) HPGDALDH1A1POLBKDM4EHSD11B1
SCHEMBL1525284 0.76 SMN1; SMN2 (0.54) HPGDALDH1A1KMT2AMEN1USP2
SCHEMBL31439281 0.76 HPGD (0.65) HPGDALDH1A1POLBKDM4EHSD11B1
SCHEMBL5119029 0.75 TSHR (0.63) HPGDALDH1A1POLBKDM4EKMT2A
SCHEMBL22365557 0.75 HPGD (0.62) HPGDALDH1A1POLBKDM4EHSD11B1
SCHEMBL3325060 0.75 HSD11B1 (0.62) HPGDALDH1A1POLBKDM4EHSD11B1
SCHEMBL8009042 0.73 HPGD (0.66) HPGDALDH1A1POLBKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
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 (2 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 HPGD 330/4885ALDH1A1 437/4885POLB 1708/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 HPGD 3581/4885ALDH1A1 3143/4885POLB 3372/4885

“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.