SCHEMBL12401758

SCHEMBL12401758

CC(C)(C)c1cc(Cl)c2c(c1)OCCO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
LARS1 Q9P2J5 2/20 0.33
TRPV1 Q8NER1 5/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
MTOR P42345 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL12217144 0.85 NPC1 (0.34) TRPV1GABRA1GABRB2MEN1MAPK1
SCHEMBL25613222 0.81 POLB (0.39) TRPV1GABRA1GABRB2MEN1MAPT
SCHEMBL12020341 0.79 GABBR2 (0.36) TRPV1GABRA1GABRB2MEN1MAPT
SCHEMBL12505319 0.79 HDAC4 (0.38) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL25107550 0.78 HTR6 (0.33) TRPV1GABRA1GABRB2MEN1MAPT
SCHEMBL12401811 0.76 PTGS1 (0.35) MAPT
SCHEMBL15032873 0.75 PLK1 (0.50) TRPV1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL23310432 0.75 HDAC4 (0.33) HDAC4
SCHEMBL24127095 0.74 NOTUM (0.44)
SCHEMBL21346939 0.73 GABBR2 (0.35)

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-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 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-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 HDAC4 619/4885HDAC3 833/4885HDAC1 770/4885

“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.