SCHEMBL13302194

SCHEMBL13302194

CC/C=C/n1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C=O)c1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.44
ABCB11 O95342 3/20 0.38
SLCO1B1 Q9Y6L6 3/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
NR1I2 O75469 1/20 0.38
RHOC P08134 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ABCC3 O15438 2/20 0.37
ABCC4 O15439 2/20 0.37
SLCO1B3 Q9NPD5 2/20 0.37

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
SCHEMBL13302411 0.93 ALDH1A1 (0.39) HMGCRALDH1A1
SCHEMBL13302361 0.84 HMGCR (0.42) HMGCRABCB11SLCO1B1HDAC1HDAC2
SCHEMBL13302360 0.80 HMGCR (0.57) HMGCRABCB11SLCO1B1HDAC1HDAC2
SCHEMBL9764095 0.80 ALDH1A1 (0.43) HMGCRABCB11SLCO1B1HDAC1HDAC2
SCHEMBL9658354 0.79 ALDH1A1 (0.41) HMGCRABCB11SLCO1B1HDAC1HDAC2
SCHEMBL9764185 0.78 KDM4E (0.48) HMGCRABCB11SLCO1B1HDAC1HDAC2
SCHEMBL12758829 0.77 ALDH1A1 (0.44) HMGCRABCB11SLCO1B1HDAC1HDAC2
SCHEMBL13302235 0.77 HMGCR (0.34) HMGCR
SCHEMBL9764313 0.74 PTGS2 (0.43) HMGCRKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL9764104 0.72 ALDH1A1 (0.45) CYP3A4KDM4EALDH1A1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100145046-A1 Substituted 3-hydroxy-delta-lactones from epoxides ENERGY, UNITED STATES DEPARTMENT OF 2010-06-10 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-20100145046-A1 Substituted 3-hydroxy-delta-lactones from epoxides EBP, CYP8B1, HSD3B2 HMGCR 160/4885ABCB11 4565/4885SLCO1B1 4771/4885

“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.