SCHEMBL13975122

SCHEMBL13975122

CC(C)Oc1nc2ccccc2c2ccc(OC(F)(F)F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ ATM Q13315 3/20 0.44
▸ ACP1 P24666 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KIF11 P52732 1/20 0.42
▸ HDAC3 O15379 1/20 0.40
▸ APP P05067 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ IGF1R P08069 2/20 0.38
▸ HPGD P15428 1/20 0.37

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
SCHEMBL13966268 0.91 KIF11 (0.43) MAPTATMACP1L3MBTL1TSHR
SCHEMBL13976004 0.86 TRPV4 (0.41) SMN1; SMN2LMNA
SCHEMBL13966267 0.86 MAPT (0.41) MAPTATMAPPSMN1; SMN2
SCHEMBL13975971 0.85 ACP1 (0.47) MAPTACP1L3MBTL1KIF11HDAC3
SCHEMBL13966278 0.84 TRPV4 (0.39) KIF11SMN1; SMN2LMNA
SCHEMBL13975124 0.80 ACP1 (0.47) MAPTACP1L3MBTL1KIF11HDAC3
SCHEMBL13966264 0.80 MAPT (0.47) MAPTATML3MBTL1TSHRLMNA
SCHEMBL13966259 0.79 ATM (0.56) MAPTATML3MBTL1TSHRACHE
SCHEMBL13966277 0.79 TRPV4 (0.39) TRPM8SMN1; SMN2LMNA
SCHEMBL13966276 0.78 MAPT (0.48) MAPTATML3MBTL1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295842-A1 PHENANTHRIDINE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBVIE INC. 2012-11-22 — — 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-20120295842-A1 PHENANTHRIDINE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, HPN, PRSS1 MAPT 3503/4885ATM 4349/4885ACP1 2350/4885

“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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