SCHEMBL12401803

SCHEMBL12401803

Cc1cc(C(C)(C)C)cc(C)c1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HTR1D P28221 2/20 0.38
HMGCR P04035 3/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
HTR1B P28222 1/20 0.34
TSHR P16473 1/20 0.32
PLAU P00749 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
PTGS1 P23219 1/20 0.30
ELANE P08246 1/20 0.30
CD69 Q07108 1/20 0.30
KDM4E B2RXH2 1/20 0.30
RXRB P28702 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
SCHEMBL18400749 0.88 POLB (0.38) POLBHTR1DHMGCRGABRA1GABRB2
SCHEMBL24653314 0.83 POLB (0.34) POLBHTR1DHMGCRHTR1B
SCHEMBL20082592 0.83 POLB (0.34) POLBHTR1DHMGCR
SCHEMBL12636687 0.79 NPC1 (0.35) HMGCRPLAU
SCHEMBL19354012 0.79 TAS1R3 (0.35)
SCHEMBL2670859 0.78 POLB (0.40) POLBHTR1DHMGCRGABRA1GABRB2
SCHEMBL12517837 0.78 FFAR4 (0.41) PLAU
SCHEMBL24653269 0.77 KDM4E (0.39) POLBHTR1DHTR1BKDM4E
SCHEMBL19085373 0.77
SCHEMBL19940003 0.76 PLAU (0.42) POLBPLAUKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
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-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 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 (3 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 POLB 3945/4885HTR1D 2720/4885HMGCR 2739/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 POLB 3945/4885HTR1D 2720/4885HMGCR 2739/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 POLB 4161/4885HTR1D 2934/4885HMGCR 2394/4885

“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.