SCHEMBL1649504

SCHEMBL1649504

OCc1ccc2c(c1)-c1ccccc1OC2

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
HRH1 P35367 1/20 0.43

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
SCHEMBL20788480 0.85 AKR1B1 (0.56) AKR1B1ALDH1A1MAPTRAB9A
SCHEMBL30529078 0.85 AKR1B1 (0.56) AKR1B1ALDH1A1MAPTRAB9A
SCHEMBL13870524 0.83 ALDH1A1 (0.67) AKR1B1ALDH1A1MAPTRAB9A
SCHEMBL1638547 0.78 PRF1 (0.54)
SCHEMBL11404428 0.78 ALDH1A1 (0.69) ALDH1A1MAPTRAB9AHRH1
SCHEMBL3453563 0.78 NPC1 (0.48) ALDH1A1MAPTRAB9A
SCHEMBL132696 0.76 MAOB (0.60) ALDH1A1MAPTRAB9AHRH1
SCHEMBL29395306 0.76 MAOB (0.60) ALDH1A1MAPTRAB9AHRH1
SCHEMBL29799860 0.76 MAOB (0.60) ALDH1A1MAPTRAB9AHRH1
SCHEMBL13870536 0.76 HRH1 (0.40) ALDH1A1MAPTRAB9AHRH1

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
WO-2004105699-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CANNABINOID AGENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2004-12-09 WO claimed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed
US-20080299220-A1 HYDROPHILIC, NON-AQUEOUS PHARMACEUTICAL CARRIERS AND COMPOSITIONS AND USES VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2008-12-04 US disclosed
US-20080206161-A1 QUIESCENT FOAMABLE COMPOSITIONS, STEROIDS, KITS AND USES THEREOF FOAMIX PHARMACEUTICALS LTD. (IL) 2008-08-28 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 (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-20080206161-A1 QUIESCENT FOAMABLE COMPOSITIONS, STEROIDS, KITS AND USES THEREOF NR5A1, CYP17A1, LIPA AKR1B1 606/4885ALDH1A1 1705/4885MAPT 4587/4885
US-20080299220-A1 HYDROPHILIC, NON-AQUEOUS PHARMACEUTICAL CARRIERS AND COMPOSITIONS AND USES LIPA, PHOSPHO1, MYO1G AKR1B1 4419/4885ALDH1A1 3679/4885MAPT 1026/4885

“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.