SCHEMBL1139693

SCHEMBL1139693

Clc1ccccc1SC1CC=CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
HAO1 Q9UJM8 1/20 0.33
LDHA P00338 8/20 0.33
LDHB P07195 5/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
RHEB Q15382 1/20 0.33
FBP1 P09467 1/20 0.33
TP53 P04637 1/20 0.32
RECQL P46063 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL2657669 0.83 LMNA (0.39) TSHRLMNAHAO1LDHALDHB
SCHEMBL1856547 0.79 CA12 (0.37) TSHRLMNAHAO1POLB
SCHEMBL11292131 0.78 CA12 (0.39) TSHRLMNA
SCHEMBL83809 0.75 CYP1A2 (0.50) HAO1MEN1KMT2A
SCHEMBL23732134 0.73 LMNA (0.35) TSHRLMNAHAO1LDHALDHB
SCHEMBL21340222 0.73 LMNA (0.35) TSHRLMNAHAO1LDHALDHB
SCHEMBL5636183 0.73 SLC6A2 (0.41) TSHRLMNAMEN1KMT2ATP53
SCHEMBL5636187 0.73 SLC6A2 (0.41) TSHRLMNAMEN1KMT2ATP53
Hydrochloric Acid SCHEMBL72071 0.73 CYP1A2 (0.49) MEN1KMT2A
SCHEMBL4869816 0.70 SLC6A2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440521-B1 NOVEL CYCLOPENTANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-04-30 EP disclosed
EP-2440521-A1 NOVEL CYCLOPENTANE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-04-18 EP disclosed
US-7893099-B2 Cyclopentane derivatives HOFFMAN-LA ROCHE INC. (US) 2011-02-22 US disclosed
WO-2010142650-A1 NOVEL CYCLOPENTANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100317647-A1 NOVEL CYCLOPENTANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 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-20100317647-A1 NOVEL CYCLOPENTANE DERIVATIVES TBXA2R, ADORA1, CNR1 DPP4 3574/4885TSHR 2108/4885LMNA 2364/4885

“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.