SCHEMBL9585490

SCHEMBL9585490

CC(C)(C)OC(=O)CCCCCC#N

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
CTSK P43235 8/20 0.36
CTSS P25774 7/20 0.36
HDAC8 Q9BY41 2/20 0.36
LMNA P02545 2/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
HDAC3 O15379 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DGKA P23743 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL9198764 0.84 MEN1 (0.37) EPHX2HDAC1HDAC2HDAC6CTSK
SCHEMBL28706088 0.84 EPHX2 (0.49) EPHX2HDAC1HDAC2HDAC6HDAC8
SCHEMBL20450540 0.84 EPHX2 (0.49) EPHX2HDAC1HDAC2HDAC6HDAC8
SCHEMBL30661131 0.84 EPHX2 (0.49) EPHX2HDAC1HDAC2HDAC6HDAC8
SCHEMBL2380206 0.84 EPHX2 (0.49) EPHX2HDAC1HDAC2HDAC6HDAC8
SCHEMBL14482131 0.84 EPHX2 (0.49) EPHX2HDAC1HDAC2HDAC6HDAC8
SCHEMBL3251209 0.84 EPHX2 (0.49) EPHX2HDAC1HDAC2HDAC6HDAC8
SCHEMBL14482719 0.84 EPHX2 (0.49) EPHX2HDAC1HDAC2HDAC6HDAC8
SCHEMBL3914424 0.84 EPHX2 (0.49) EPHX2HDAC1HDAC2HDAC6HDAC8
SCHEMBL28924668 0.84 EPHX2 (0.49) EPHX2HDAC1HDAC2HDAC6HDAC8

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-20110112309-A1 PREPARATION PROCESS USEFUL IN SYNTHESIS OF ATORVASTATIN MEDICHEM KOREA CO., LTD. (KR) 2011-05-12 US disclosed
US-5245047-A Process for trans-6-[2-(substituted-pyrrol-1-yl)alkyl]pyran-2-one inhibitors of cholesterol synthesis WARNER-LAMBERT COMPANY (US) 1993-09-14 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-20110112309-A1 PREPARATION PROCESS USEFUL IN SYNTHESIS OF ATORVASTATIN HMGCR, DHCR7, LIPA EPHX2 832/4885HDAC1 2988/4885HDAC2 2408/4885

“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.