SCHEMBL13408057

SCHEMBL13408057

CCCOc1c(OC(F)(F)F)cccc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 1/20 0.42
▸ KCNK9 Q9NPC2 1/20 0.42
▸ ALOX15 P16050 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ P2RY2 P41231 1/20 0.35
▸ P2RY1 P47900 1/20 0.35
▸ P2RY14 Q15391 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.34

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
SCHEMBL13408060 0.89 KCNK3 (0.45) KCNK3KCNK9ALOX15TSHRL3MBTL1
SCHEMBL15926505 0.82 MCHR1 (0.37) KCNK3KCNK9ALOX15TSHRL3MBTL1
SCHEMBL13320404 0.81 SMN1; SMN2 (0.55) ALOX15TSHRL3MBTL1MEN1CYP1A2
SCHEMBL13408055 0.81 TSHR (0.51) ALOX15TSHRL3MBTL1MEN1CYP1A2
SCHEMBL16479208 0.80 SCN8A (0.46) ALOX15TSHRSMN1; SMN2LMNACHRM2
SCHEMBL13391640 0.80 ALOX15 (0.40) ALOX15TSHRL3MBTL1MEN1CYP1A2
SCHEMBL16953785 0.78 KCNK3 (0.38) KCNK3KCNK9L3MBTL1SCN9AHCRTR1
SCHEMBL1252577 0.77 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2HCRTR1HCRTR2
SCHEMBL27117672 0.75 KCNK3 (0.43) KCNK3KCNK9ALOX15TSHRCYP1A2
SCHEMBL9945946 0.74 MAPK1 (0.49) KCNK3ALOX15TSHRCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450307-B2 Therapeutic agents, and methods of making and using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-05-28 — — US disclosed
US-20100093705-A1 Therapeutic agents, and methods of making and using the same DEBIOPHARM INTERNATIONAL SA (CH) 2010-04-15 — — 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-20100093705-A1 Therapeutic agents, and methods of making and using the same MCL1, DHFR, ANXA5 KCNK3 4617/4885KCNK9 4813/4885ALOX15 931/4885

“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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