SCHEMBL14740569

SCHEMBL14740569

C=CCc1ccccc1C1(CC=C)OC(=O)CC(=O)O1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL1617397 0.71 CYP2D6 (0.42) GABRA1GABRB2SIGMAR1
SCHEMBL14692732 0.67 ALDH1A1 (0.37) GABRA1GABRB2
SCHEMBL2829867 0.66 GABRA1 (0.37) GABRA1GABRB2L3MBTL1ADRA2BADRA2C
SCHEMBL2473490 0.65 GABRA1 (0.39) GABRA1GABRB2ADRA2BADRA2CADRB2
SCHEMBL2365122 0.65
SCHEMBL9280377 0.64 CFTR (0.49) L3MBTL1SIGMAR1
SCHEMBL29763626 0.63 GABRA1 (0.56) GABRA1GABRB2L3MBTL1ADRA2BADRA2C
SCHEMBL173300 0.63 GABRA1 (0.56) GABRA1GABRB2L3MBTL1ADRA2BADRA2C
SCHEMBL5519566 0.63 HCAR2 (0.33) GABRA1GABRB2SIGMAR1
SCHEMBL7789544 0.63 CYP2D6 (0.44) GABRA1GABRB2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059924-A1 PHOTOSTABILISERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-07 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-20130059924-A1 PHOTOSTABILISERS ALDH1A1, ALDH18A1, ALDH1A2 GABRA1 2453/4885GABRB2 2630/4885L3MBTL1 3743/4885

“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.