SCHEMBL13150548

SCHEMBL13150548

CC(=O)OCCc1cc(Cl)cc(C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.37
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
F2 P00734 2/20 0.33
F9 P00740 2/20 0.33
F10 P00742 2/20 0.33
CFD P00746 2/20 0.33
PLG P00747 2/20 0.33
PLAU P00749 2/20 0.33
PLAT P00750 2/20 0.33
F11 P03951 2/20 0.33
KLKB1 P03952 2/20 0.33
F7 P08709 2/20 0.33
TLR8 Q9NR97 1/20 0.33
TSHR P16473 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 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
SCHEMBL27450326 0.85 TNKS2 (0.43) TNKS2ALDH1A1TLR8TSHRRAB9A
SCHEMBL12013414 0.84 ALDH1A1 (0.43) ALDH1A1L3MBTL1RAB9ASMN1; SMN2MEN1
SCHEMBL334409 0.80 CNR1 (0.41) TNKS2ALDH1A1TLR8TSHRCNR1
SCHEMBL1423103 0.80 TNKS2 (0.42) TNKS2ALDH1A1TLR8TSHRSMN1; SMN2
SCHEMBL10053298 0.79 L3MBTL1 (0.44) ALDH1A1L3MBTL1PPARGPPARDPPARA
SCHEMBL334184 0.78 TNKS2 (0.41) TNKS2ALDH1A1TLR8TSHRSMN1; SMN2
SCHEMBL28785864 0.78 TNKS2 (0.38) TNKS2ALDH1A1TLR8TSHRCNR1
SCHEMBL13150551 0.77 GABRA1 (0.38) ALDH1A1TSHRRAB9ASMN1; SMN2CNR1
SCHEMBL26723854 0.74 TACR1 (0.35) L3MBTL1RAB9ASMN1; SMN2CNR1MEN1
SCHEMBL1421997 0.73 TNKS2 (0.36) TNKS2ALDH1A1TLR8TSHRSMN1; SMN2

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
US-8362054-B2 Therapeutic substituted lactams ALLERGAN, INC. (US) 2013-01-29 US disclosed
US-7803797-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2010-09-28 US disclosed
US-20100168189-A1 THERAPEUTIC SUBSTITUTED LACTAMS ALLERGAN, INC. 2010-07-01 US disclosed
US-20090270385-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-10-29 US disclosed
WO-2008100809-A1 GAMMA-LACTAMS FOR THE TREATMENT OF GLAUCOMA OR ELEVATED INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2008-08-21 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 (2 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-20090270385-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS GBA1, GNAO1, UGT2B7 TNKS2 3033/4885ALDH1A1 551/4885L3MBTL1 3022/4885
US-20100168189-A1 THERAPEUTIC SUBSTITUTED LACTAMS PIGO, GARS1, CLPP TNKS2 2260/4885ALDH1A1 2303/4885L3MBTL1 3603/4885

“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.