SCHEMBL24358787

SCHEMBL24358787

C=CCc1cc(F)c(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.40
▸ XDH P47989 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ GABRA1 P14867 4/20 0.39
▸ GABRB2 P47870 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ PPARG P37231 2/20 0.39
▸ PPARD Q03181 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ CNR1 P21554 2/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH2 P05091 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TNKS2 Q9H2K2 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
SCHEMBL2306375 0.80 ALDH1A1 (0.56) TNKSALDH1A1GABRA1GABRB2MAPT
SCHEMBL215399 0.78 XDH (0.50) TNKSXDHPARP1ALDH1A1GABRA1
SCHEMBL10981699 0.78 TNKS (0.40) TNKSXDHPARP1ALDH1A1GABRA1
SCHEMBL2560529 0.77 CES2 (0.39) CES2CES1MAOBRIPK1
SCHEMBL1902408 0.77 XDH (0.41) TNKSXDHPARP1ALDH1A1GABRA1
SCHEMBL31610288 0.76 ALDH1A1 (0.44) TNKSALDH1A1GABRA1GABRB2MAPT
SCHEMBL31048347 0.76 ALDH1A1 (0.44) TNKSALDH1A1GABRA1GABRB2MAPT
SCHEMBL12833024 0.76 XDH (0.52) TNKSXDHPARP1ALDH1A1GABRA1
SCHEMBL2722507 0.76 TRPV4 (0.47) TNKSXDHPARP1ALDH1A1GABRA1
SCHEMBL10986339 0.75 XDH (0.31) XDHALDH1A1GABRA1GABRB2MAPT

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-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 — — US disclosed
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 — — US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 — — 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 (2 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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 TNKS 2677/4885XDH 3601/4885PARP1 4584/4885
US-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 TNKS 2276/4885XDH 531/4885PARP1 965/4885

“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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