SCHEMBL2106077

SCHEMBL2106077

C[C@H](CO)Oc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TRPA1 O75762 1/20 0.46
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC6A4 P31645 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL2106080 1.00 ALDH1A1 (0.47) ALDH1A1TRPA1PPARGPPARANPSR1
SCHEMBL9819090 1.00 ALDH1A1 (0.47) ALDH1A1TRPA1PPARGPPARANPSR1
SCHEMBL10878284 0.94 ALDH1A1 (0.44) ALDH1A1TRPA1PPARGPPARANPSR1
SCHEMBL11750959 0.94 ALDH1A1 (0.44) ALDH1A1TRPA1PPARGPPARANPSR1
SCHEMBL10629728 0.89 MTNR1A (0.44) MTNR1AMTNR1BPRKAB2PRKAG1PRKAA2
SCHEMBL11511627 0.87 MAOB (0.55)
SCHEMBL15890439 0.83 PRKAB2 (0.46) PPARGPPARAMTNR1AMTNR1BPRKAB2
SCHEMBL9713460 0.82 MAP2K1 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL13265662 0.81 ALDH1A1 (0.44) ALDH1A1PPARGPPARANPSR1SLC6A4
SCHEMBL9265587 0.81 ACACB (0.43) MTNR1AMTNR1BPRKAB2PRKAG1PRKAA2

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
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
US-4841079-A Process for the production of asymmetric hydantoins PFIZER, INC. (US) 1989-06-20 US disclosed
EP-0172719-B1 PROCESS FOR THE PRODUCTION AS ASYMMETRIC HYDANTOINS PFIZER INC. (US) 1988-09-21 EP disclosed
US-4716113-A Process for the production of an (S)-methyl or (S)-ethyl 4-amino-6-fluorochroman-4-carboxylate PFIZER INC. (US) 1987-12-29 US disclosed
EP-0172719-A1 Process for the production as asymmetric hydantoins PFIZER INC. (US) 1986-02-26 EP 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 40/4885TRPA1 2667/4885PPARG 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.