SCHEMBL4501587

SCHEMBL4501587

O=C(C=Cc1ccc(O)cc1)OCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 6/20 1.00
AKR1B1 P15121 6/20 1.00
CA12 O43570 6/20 1.00
CA7 P43166 6/20 1.00
CA9 Q16790 6/20 1.00
CA14 Q9ULX7 6/20 1.00
CA4 P22748 4/20 1.00
CA6 P23280 4/20 1.00
CA5A P35218 4/20 1.00
CA5B Q9Y2D0 4/20 1.00
LMNA P02545 1/20 0.84
MAOB P27338 1/20 0.76
TTR P02766 1/20 0.74
CA1 P00915 4/20 0.64
CA2 P00918 2/20 0.64
MET P08581 2/20 0.63
HCAR2 Q8TDS4 1/20 0.63
ABCG2 Q9UNQ0 1/20 0.58
MMP1 P03956 1/20 0.57
MMP2 P08253 1/20 0.57

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
SCHEMBL4501585 1.00 AKR1B10 (1.00) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL15419990 1.00 AKR1B10 (1.00) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL13552179 0.95 LMNA (0.93) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL22510990 0.94 AKR1B10 (0.88) AKR1B10AKR1B1CA12CA7CA9
Benzyl Cinnamate SCHEMBL43212 0.92 LMNA (1.00) AKR1B10AKR1B1CA12CA7CA9
Benzyl Cinnamate SCHEMBL1871854 0.92 LMNA (1.00) AKR1B10AKR1B1CA12CA7CA9
Benzyl Cinnamate SCHEMBL43213 0.92 LMNA (1.00) AKR1B10AKR1B1CA12CA7CA9
Benzyl Cinnamate SCHEMBL901152 0.92 LMNA (1.00) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL22071063 0.90 LMNA (0.84) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL29641956 0.89 LMNA (0.82) AKR1B10AKR1B1CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638648-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN INC. (US) 2009-12-29 US disclosed
US-7468391-B2 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2008-12-23 US disclosed
US-20080004455-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2008-01-03 US disclosed
US-7226951-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2007-06-05 US disclosed
EP-1699775-A2 COMPOUNDS HAVING SELECTIVE CYTOCHROME P450RAI-1 OR SELECTIVE CYTOCHROME P450RAI-2 INHIBITORY ACTIVITY AND METHODS OF OBTAINING THE SAME Allergan, Inc. (US) 2006-09-13 EP disclosed
EP-1696899-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2006-09-06 EP disclosed
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2005-08-25 US disclosed
US-20050176689-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. 2005-08-11 US disclosed
WO-2005058798-A2 COMPOUNDS HAVING SELECTIVE CYTOCHROME P450RAI-1 OR SELECTIVE CYTOCHROME P450RAI-2 INHIBITORY ACTIVITY AND METHODS OF OBTAINING THE SAME ALLERGAN, INC. (US) 2005-06-30 WO disclosed
WO-2005058301-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2005-06-30 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 (3 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-20050176689-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same CYP1A2, CYP2A7, CYP3A7 AKR1B10 141/4885AKR1B1 99/4885CA12 3105/4885
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B CYP26B1, CYP2A6, CYP21A2 AKR1B10 55/4885AKR1B1 24/4885CA12 2544/4885
US-20080004455-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same CYP1A2, CYP2A7, CYP3A7 AKR1B10 141/4885AKR1B1 99/4885CA12 3105/4885

“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.