SCHEMBL13408060

SCHEMBL13408060

CCOc1c(OC(F)(F)F)cccc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 2/20 0.45
▸ KCNK9 Q9NPC2 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ P2RY2 P41231 1/20 0.34
▸ P2RY1 P47900 1/20 0.34
▸ P2RY14 Q15391 1/20 0.34
▸ GABRA1 P14867 2/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 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
SCHEMBL13408057 0.89 KCNK3 (0.42) KCNK3KCNK9L3MBTL1CYP1A2CYP3A4
SCHEMBL16953785 0.88 KCNK3 (0.38) KCNK3KCNK9L3MBTL1HPGDPDK2
SCHEMBL13453934 0.83 ALDH1A1 (0.44) L3MBTL1CYP1A2CYP3A4HPGDMEN1
SCHEMBL16479216 0.80 SCN8A (0.42) KCNK3L3MBTL1CYP1A2CYP3A4HPGD
SCHEMBL16960643 0.79 L3MBTL1 (0.36) L3MBTL1HPGDMEN1RECQLKMT2A
SCHEMBL27117672 0.79 KCNK3 (0.43) KCNK3KCNK9CYP1A2CYP3A4HPGD
SCHEMBL13408054 0.78 TSHR (0.47) CYP1A2CYP3A4HPGDTSHRALOX15
SCHEMBL807278 0.77 KCNK3 (0.52) KCNK3KCNK9L3MBTL1CYP1A2CYP3A4
SCHEMBL16953547 0.76 HCRTR1 (0.40) L3MBTL1HPGDMEN1KMT2APDK2
SCHEMBL16953782 0.76 F2R (0.39) KCNK3KCNK9L3MBTL1HPGDPDK2

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-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
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 4813/4885L3MBTL1 1356/4885

“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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