SCHEMBL771422

SCHEMBL771422

COCCC1CCCN(C(=O)O)[C@@H]1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
FKBP1A P62942 3/20 0.32
RAB9A P51151 1/20 0.31
RIPK1 Q13546 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
SLC6A11 P48066 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL771421 1.00 HSD17B10 (0.35) HSD17B10LMNACYP2C19CHRNB2CHRNA3
SCHEMBL772147 0.85 HSD17B10 (0.36) HSD17B10LMNACYP2C19SMN1; SMN2FKBP1A
SCHEMBL6407126 0.84 HSD17B10 (0.37) HSD17B10LMNACYP2C19SMN1; SMN2RIPK1
SCHEMBL14678324 0.80 HSD17B10 (0.39) HSD17B10LMNACYP2C19SMN1; SMN2RIPK1
SCHEMBL5469615 0.80 POLB (0.41) HSD17B10LMNACYP2C19SMN1; SMN2RIPK1
SCHEMBL2386007 0.80 HSD17B10 (0.39) HSD17B10LMNACYP2C19SMN1; SMN2RIPK1
SCHEMBL1975621 0.80 POLB (0.41) HSD17B10LMNACYP2C19SMN1; SMN2RIPK1
SCHEMBL8646401 0.80 POLB (0.41) HSD17B10LMNACYP2C19SMN1; SMN2RIPK1
SCHEMBL771956 0.80 POLB (0.41) HSD17B10LMNACYP2C19SMN1; SMN2RIPK1
SCHEMBL1974494 0.79 HSD17B10 (0.38) HSD17B10LMNACYP2C19SMN1; SMN2RIPK1

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HSD17B10 1073/4885LMNA 4323/4885CYP2C19 1316/4885

“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.