SCHEMBL1421997

SCHEMBL1421997

CC(=O)OCCc1c[c]cc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
RAD52 P43351 1/20 0.33
TLR8 Q9NR97 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
SCHEMBL1403716 0.83 ALDH1A1 (0.47) ALDH1A1USP2HPGDCA2SMN1; SMN2
SCHEMBL27450326 0.82 TNKS2 (0.43) TNKS2ALDH1A1TSHRSIRT2USP2
SCHEMBL334409 0.77 CNR1 (0.41) TNKS2ALDH1A1TSHRSIRT2USP2
SCHEMBL13667239 0.77 MAOB (0.49) ALDH1A1HPGDSMN1; SMN2
SCHEMBL1423103 0.77 TNKS2 (0.42) TNKS2ALDH1A1TSHRSIRT2USP2
SCHEMBL28785864 0.75 TNKS2 (0.38) TNKS2ALDH1A1TSHRSIRT2USP2
SCHEMBL334184 0.75 TNKS2 (0.41) TNKS2ALDH1A1TSHRSIRT2USP2
SCHEMBL1067152 0.75 SIRT2 (0.47) ALDH1A1TSHRSIRT2SMN1; SMN2CHRM5
SCHEMBL5775345 0.73 ALDH1A1 (0.44) ALDH1A1TSHRHPGDRAD52SMN1; SMN2
SCHEMBL13150548 0.73 TNKS2 (0.37) TNKS2ALDH1A1TSHRSIRT2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118094-B1 GAMMA-LACTAMS FOR THE TREATMENT OF GLAUCOMA OR ELEVATED INTRAOCULAR PRESSURE ALLERGAN INC (US) 2013-04-17 EP claimed
EP-2114875-B1 SUBSTITUTED ARYLCYLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN INC (US) 2012-08-15 EP claimed
EP-2114875-A1 SUBSTITUTED ARYLCYLOPENTENES AS THERAPEUTIC AGENTS Allergan, Inc. (US) 2009-11-11 EP claimed
WO-2008091810-A1 SUBSTITUTED ARYLCYLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-07-31 WO claimed
EP-2118094-B1 GAMMA-LACTAMS FOR THE TREATMENT OF GLAUCOMA OR ELEVATED INTRAOCULAR PRESSURE ALLERGAN INC (US) 2013-04-17 EP disclosed
US-8362054-B2 Therapeutic substituted lactams ALLERGAN, INC. (US) 2013-01-29 US disclosed
EP-2114875-B1 SUBSTITUTED ARYLCYLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN INC (US) 2012-08-15 EP disclosed
EP-2297085-A2 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS Allergan, Inc. (US) 2011-03-23 EP disclosed
US-20100168189-A1 THERAPEUTIC SUBSTITUTED LACTAMS ALLERGAN, INC. 2010-07-01 US disclosed
EP-2114875-A1 SUBSTITUTED ARYLCYLOPENTENES AS THERAPEUTIC AGENTS Allergan, Inc. (US) 2009-11-11 EP disclosed
WO-2009132093-A2 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-10-29 WO disclosed
WO-2008091810-A1 SUBSTITUTED ARYLCYLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-07-31 WO 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-20100168189-A1 THERAPEUTIC SUBSTITUTED LACTAMS PIGO, GARS1, CLPP TNKS2 2260/4885ALDH1A1 2303/4885TSHR 4545/4885

“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.