SCHEMBL13301403

SCHEMBL13301403

Cc1ccc(-c2cc(F)cc(F)c2F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NFE2L2 Q16236 4/20 0.37
▸ GRM2 Q14416 1/20 0.36
▸ ACHE P22303 2/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ RAPGEF4 Q8WZA2 1/20 0.33
▸ TGM2 P21980 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ CTSA P10619 1/20 0.32
▸ PDE9A O76083 1/20 0.32
▸ PDE3B Q13370 2/20 0.32
▸ PDE3A Q14432 2/20 0.32

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
SCHEMBL13674310 0.83 NFE2L2 (0.50) MEN1ALDH1A1THRBHPGDKMT2A
SCHEMBL13520606 0.82 GRM2 (0.44) MEN1ALDH1A1THRBHPGDKMT2A
SCHEMBL18069654 0.81 GRM2 (0.44) MEN1ALDH1A1THRBHPGDKMT2A
SCHEMBL12628287 0.79 MEN1 (0.41) MEN1ALDH1A1THRBHPGDKMT2A
SCHEMBL13761288 0.78 PTGS2 (0.44) HPGDNFE2L2ACHERAPGEF4MAOB
SCHEMBL9319089 0.76 GRM2 (0.36) MEN1ALDH1A1THRBHPGDKMT2A
SCHEMBL10304925 0.76 MEN1 (0.42) MEN1ALDH1A1THRBHPGDKMT2A
SCHEMBL12570869 0.76 LMNA (0.41) MEN1HPGDKMT2A
SCHEMBL12357201 0.75 CTSA (0.44) MEN1ALDH1A1THRBHPGDKMT2A
SCHEMBL12628086 0.75 GRM2 (0.41) MEN1ALDH1A1THRBHPGDKMT2A

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-7745424-B2 Alkane diol derivatives as therapeutic agents for the treatment of bone conditions The Univeristy Court of the University of Aberdeen (GB) 2010-06-29 — — US disclosed
US-7572825-B2 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-08-11 — — US disclosed
US-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN, THE (GB) 2007-02-01 — — 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-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions OXER1, ESRRA, NR5A1 MEN1 1486/4885ALDH1A1 1832/4885THRB 418/4885

“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.

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