SCHEMBL2108300

SCHEMBL2108300

C[C@H](CC(=O)O)Oc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
FFAR1 O14842 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A9 P48067 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41

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
SCHEMBL2108302 1.00 ALDH1A1 (0.50) ALDH1A1NPSR1PPARGPPARAFFAR1
SCHEMBL11607924 0.84 ALDH1A1 (0.49) ALDH1A1NPSR1PPARGPPARASMN1; SMN2
SCHEMBL23606001 0.84 L3MBTL1 (0.49) ALDH1A1NPSR1PPARGPPARAFFAR1
SCHEMBL21991878 0.84 MTNR1A (0.58) PPARGPPARAFFAR1MTNR1AMTNR1B
SCHEMBL8480831 0.84 MTNR1A (0.44) FFAR1MTNR1AMTNR1BGAAKMT2A
SCHEMBL1418060 0.83 MTNR1A (0.59) ALDH1A1FFAR1MTNR1AMTNR1BHPGD
SCHEMBL21991330 0.83 NPSR1 (0.48) ALDH1A1NPSR1PPARGPPARAFFAR1
SCHEMBL21991899 0.83 ALDH1A1 (0.51) ALDH1A1NPSR1PPARGPPARASMN1; SMN2
SCHEMBL10958161 0.82 LDHA (0.55) ALDH1A1NPSR1PPARGPPARAFFAR1
SCHEMBL3465863 0.82 KMT2A (0.65) SMN1; SMN2MTNR1AMTNR1BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158667-B2 Topical treatment of cataracts in dogs BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2012-04-17 US disclosed
US-8158667-B2 Topical treatment of cataracts in dogs BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2012-04-17 US disclosed
US-8158667-B2 Topical treatment of cataracts in dogs BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2012-04-17 US disclosed
WO-2010065024-A1 TOPICAL TREATMENT OF CATARACTS IN DOGS KADOR PETER F (US) 2010-06-10 WO disclosed
WO-2010065024-A1 TOPICAL TREATMENT OF CATARACTS IN DOGS KADOR PETER F (US) 2010-06-10 WO disclosed
US-20090082415-A1 Topical treatment of cataracts in dogs BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2009-03-26 US disclosed
US-20090082415-A1 Topical treatment of cataracts in dogs BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2009-03-26 US disclosed
US-20090082415-A1 Topical treatment of cataracts in dogs BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2009-03-26 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-20090082415-A1 Topical treatment of cataracts in dogs AKR1A1, AKR1B1, AKR1C1 ALDH1A1 40/4885NPSR1 4677/4885PPARG 59/4885

“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.