SCHEMBL80997

SCHEMBL80997

OCC#Cc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
MRGPRX4 Q96LA9 2/20 0.48
ACACB O00763 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
PDE2A O00408 2/20 0.42
AR P10275 5/20 0.42
PGK1 P00558 1/20 0.38
MAPT P10636 1/20 0.38
FFAR1 O14842 2/20 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
SCHEMBL78780 0.87 ALDH1A1 (0.51) ALDH1A1GAAHTTMRGPRX4ACACB
SCHEMBL13464023 0.81 ALDH1A1 (0.42) ALDH1A1GAAHTTMRGPRX4PTGDR2
SCHEMBL4057890 0.81 AR (0.48) ALDH1A1GAAHTTAR
SCHEMBL31568536 0.77 PDE2A (0.44) ALDH1A1GAAHTTMRGPRX4ACACB
SCHEMBL15541043 0.77 PDE2A (0.44) ALDH1A1GAAHTTMRGPRX4ACACB
SCHEMBL20595717 0.77 PGK1 (0.43) ALDH1A1GAAHTTPTGDR2PGK1
SCHEMBL18586815 0.77 ALDH1A1 (0.41) ALDH1A1GAAHTTMRGPRX4PTGDR2
SCHEMBL3860645 0.75 MRGPRX4 (0.56) ALDH1A1GAAMRGPRX4ACACBPTGDR2
SCHEMBL3870663 0.75 MRGPRX4 (0.53) ALDH1A1MRGPRX4ACACBPTGDR2PDE2A
Hydrochloric Acid SCHEMBL3870669 0.74 MRGPRX4 (0.55) ALDH1A1GAAMRGPRX4ACACBPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 ALDH1A1 646/4885GAA 1918/4885HTT 3158/4885

“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.