SCHEMBL19764173

SCHEMBL19764173

CCC(=O)c1ccc2c(c1)C(F)(F)c1cc(C)ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.41
▸ HPGD P15428 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ PDK2 Q15119 5/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTT P42858 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PLA2G1B P04054 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ KCNH2 Q12809 1/20 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
SCHEMBL30882585 0.84 PDK2 (0.48) MAPTPDK2SMN1; SMN2L3MBTL1
SCHEMBL30882453 0.84 ALDH1A1 (0.47) MAPTHPGDALDH1A1TSHRPDK2
SCHEMBL15131513 0.82 PDK2 (0.44) MAPTPDK2SMN1; SMN2L3MBTL1RAB9A
SCHEMBL13107406 0.79 PDK2 (0.48) MAPTPDK2SMN1; SMN2HTTMEN1
SCHEMBL14692626 0.78 GSK3B (0.50) GSK3BPDK2
SCHEMBL26120236 0.77 PDK2 (0.48) MAPTHPGDALDH1A1TSHRPDK2
SCHEMBL18012811 0.77 ATM (0.44) MAPTHPGDALDH1A1TSHRATM
SCHEMBL14733206 0.77 PDK2 (0.39) MAPTGSK3BPDK2RAB9ANPC1
SCHEMBL19978302 0.76 KMT2A (0.40) MAPTHPGDALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL26573486 0.76 PDK2 (0.49) ALDH1A1PDK2

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-20180009790-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF HCV INHIBITOR VETUKURI PRASAD RAJU VNKV (IN) 2018-01-11 — — 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-20180009790-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF HCV INHIBITOR GOT1, EIF2AK2, UGT1A1 MAPT 3443/4885HPGD 2409/4885ALDH1A1 1412/4885

“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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