SCHEMBL6744618

SCHEMBL6744618

CC1CCCCC1OCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
USP2 O75604 1/20 0.37
EPHX1 P07099 2/20 0.36
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
PTGDR2 Q9Y5Y4 4/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
PTGDR Q13258 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL14521096 0.96 CYP19A1 (0.36) CYP19A1USP2EPHX1ALDH1A1LMNA
SCHEMBL17857805 0.85 PTGDR2 (0.37) PTGDR2ALDH1A1LMNATSHRNPSR1
SCHEMBL17489167 0.85 PTGDR2 (0.37) PTGDR2ALDH1A1LMNATSHRNPSR1
SCHEMBL12936696 0.84 CYP19A1 (0.40) CYP19A1USP2EPHX1CA1CA2
SCHEMBL3820565 0.81 CYP19A1 (0.41) CYP19A1EPHX1PTGDR2ALDH1A1TSHR
SCHEMBL7500349 0.80 CYP19A1 (0.30) CYP19A1
SCHEMBL12936708 0.80 CYP19A1 (0.36) CYP19A1EPHX1ALDH1A1LMNATSHR
SCHEMBL29755750 0.79 ALDH1A1 (0.34) PTGDR2ALDH1A1LMNATSHRNPSR1
SCHEMBL6746946 0.78 USP2 (0.34) USP2EPHX1CA1CA2CA4
SCHEMBL13179911 0.77 CYP19A1 (0.35) CYP19A1USP2EPHX1PTGDR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696494-B2 HUMAN IMMUNODEFICIENCY VIRUS ENANTA PHARMACEUTICALS, INC. 2004-02-24 US disclosed
US-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease ENANTA PHARMACEUTICALS, INC. 2003-11-06 US disclosed
WO-2003034989-A2 α-HYDROXYARYLBUTANAMINE INHIBITORS OF ASPARTYL PROTEASE ENANTA PHARMACEUTICALS, INC. (US) 2003-05-01 WO 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-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease DNPEP, ASPH, CTSC CYP19A1 1171/4885USP2 188/4885EPHX1 2341/4885

“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.