SCHEMBL1044067

SCHEMBL1044067

CCOC(=O)C1CCc2ccc(F)cc2O1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.61
CYP4A11 Q02928 1/20 0.61
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
RORC P51449 4/20 0.38
PPARG P37231 4/20 0.37
PPARA Q07869 4/20 0.37
PPARD Q03181 3/20 0.37
KMT2A Q03164 1/20 0.37
AKR1B1 P15121 1/20 0.37

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
SCHEMBL908570 0.90 CYP4F2 (0.72) CYP4F2CYP4A11ALDH1A1TDP1POLB
SCHEMBL29397407 0.90 CYP4F2 (0.72) CYP4F2CYP4A11ALDH1A1TDP1POLB
SCHEMBL6846728 0.90 CYP4F2 (0.72) CYP4F2CYP4A11ALDH1A1TDP1POLB
SCHEMBL14681244 0.90 CYP4F2 (0.72) CYP4F2CYP4A11ALDH1A1TDP1POLB
SCHEMBL19174157 0.90 CYP4F2 (0.72) CYP4F2CYP4A11ALDH1A1TDP1POLB
SCHEMBL12660944 0.87 CYP4F2 (0.64) CYP4F2CYP4A11ALDH1A1POLBPPARG
SCHEMBL29587502 0.86 CYP4F2 (0.53) CYP4F2CYP4A11PPARGPPARAPPARD
SCHEMBL9837746 0.86 CYP4F2 (0.62) CYP4F2CYP4A11
SCHEMBL9838425 0.86 CYP4F2 (0.62) CYP4F2CYP4A11
SCHEMBL1019684 0.86 CYP4F2 (0.62) CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US disclosed
EP-2271635-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 EP disclosed
WO-2009133109-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 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 (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-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 CYP4F2 1790/4885CYP4A11 2471/4885ALDH1A1 1056/4885

“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.