SCHEMBL80862

SCHEMBL80862

OCCCc1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.41
WNT3A P56704 3/20 0.41
CYP19A1 P11511 1/20 0.39
FAAH O00519 3/20 0.39
MRGPRX4 Q96LA9 1/20 0.37
CYP3A4 P08684 1/20 0.36
SLC6A4 P31645 1/20 0.36
ROCK2 O75116 1/20 0.36
CALM1 P0DP23 1/20 0.36
PTGDR Q13258 1/20 0.35
PTGS2 P35354 4/20 0.35
CYP2D6 P10635 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL22657669 0.89 CTNNB1 (0.43) CTNNB1WNT3ACYP19A1FAAHMRGPRX4
SCHEMBL80920 0.84 FAAH (0.40) CTNNB1WNT3ACYP19A1FAAHMRGPRX4
SCHEMBL27044834 0.83 SKP2 (0.42) CTNNB1WNT3ACYP19A1FAAHSLC6A4
SCHEMBL17662432 0.83 ALOX15 (0.50) CYP3A4CALM1PTGS2CA2
SCHEMBL351795 0.82 CTNNB1 (0.45) CTNNB1WNT3ACYP19A1FAAHMRGPRX4
SCHEMBL934525 0.81 CTNNB1 (0.47) CTNNB1WNT3AFAAHMRGPRX4ROCK2
SCHEMBL22657573 0.80 CTNNB1 (0.41) CTNNB1WNT3ACYP19A1FAAHMRGPRX4
SCHEMBL15932124 0.80 CTNNB1 (0.46) CTNNB1WNT3AFAAHMRGPRX4ROCK2
SCHEMBL1971747 0.79 TAAR1 (0.53) CTNNB1WNT3ACYP19A1FAAHSLC6A4
SCHEMBL8367478 0.79 CNR1 (0.40) CTNNB1WNT3ACYP19A1FAAHMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594563-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2018-07-18 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C CTNNB1 1719/4885WNT3A 2773/4885CYP19A1 743/4885

“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.