SCHEMBL8250180

SCHEMBL8250180

CC(C)(C)[C@H](NC(=O)OC1CCC1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CA2 P00918 1/20 0.33
BTK Q06187 1/20 0.33
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL1167064 0.97 EPHX1 (0.45) EPHX1TSHRCYP3A4CYP2C19CNR2
SCHEMBL1536518 0.97 EPHX1 (0.45) EPHX1TSHRCYP3A4CYP2C19CNR2
SCHEMBL8243961 0.95 EPHX1 (0.47) EPHX1TSHRCYP3A4CYP2C19ALDH1A1
SCHEMBL20456806 0.93 EPHX1 (0.36) EPHX1TSHRCYP3A4CYP2C19CNR2
SCHEMBL20456807 0.93 EPHX1 (0.36) EPHX1TSHRCYP3A4CYP2C19CNR2
SCHEMBL15219814 0.87 EPHX1 (0.41) EPHX1TSHRCYP3A4CYP2C19ALDH1A1
SCHEMBL12401411 0.85 EPHX1 (0.40) EPHX1TSHRCYP3A4CYP2C19ALDH1A1
SCHEMBL14432924 0.84 CNR2 (0.33) EPHX1CNR2ALDH1A1SMN1; SMN2CA2
SCHEMBL14943351 0.83 EPHX1 (0.45) EPHX1TSHRCYP3A4CYP2C19ALDH1A1
SCHEMBL12335718 0.83 EPHX1 (0.45) EPHX1TSHRCYP3A4CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229818-A1 Hepatitis C inhibitor compound BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-11-18 US disclosed
US-20040229818-A1 Hepatitis C inhibitor compound BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-11-18 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-20040229818-A1 Hepatitis C inhibitor compound HAVCR2, GTF3C1, RNASE1 EPHX1 1187/4885TSHR 3799/4885CYP3A4 520/4885

“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.