SCHEMBL10141486

SCHEMBL10141486

CCCCCC(C)(C)COCC

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
SMPD1 P17405 3/20 0.31
CES1 P23141 1/20 0.31
FDPS P14324 10/20 0.31
GGPS1 O95749 7/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL15201755 0.98 TSHR (0.36) TSHRTHRBSMPD1CES1FDPS
Ammonia Solution, Strong SCHEMBL28650831 0.96 TSHR (0.35) TSHRTHRBSMPD1CES1FDPS
SCHEMBL9750720 0.90 TSHR (0.35) TSHRTHRBSMPD1CES1FDPS
SCHEMBL27805429 0.88 TSHR (0.40) TSHRTHRBSMPD1CES1FDPS
SCHEMBL16448809 0.86 HRH3 (0.32)
SCHEMBL10147430 0.82 LMNA (0.32) TSHR
SCHEMBL9451864 0.82 TSHR (0.32) TSHRTHRBCES1FDPS
SCHEMBL13517303 0.81 MEN1 (0.34) TSHRTHRBSMPD1CES1FDPS
SCHEMBL8533945 0.80 DNM1 (0.37) TSHRFDPSMEN1KMT2A
SCHEMBL13517977 0.79 MEN1 (0.37) TSHRTHRBSMPD1CES1FDPS

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-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 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-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 TSHR 4687/4885THRB 4251/4885SMPD1 448/4885
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 TSHR 4687/4885THRB 4251/4885SMPD1 448/4885

“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.