SCHEMBL21910786

SCHEMBL21910786

BCc1ccc(OCC(O)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.41
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
LMNA P02545 3/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 2/20 0.36
CACNA1G O43497 1/20 0.36
CASR P41180 1/20 0.36
GAA P10253 1/20 0.35
MAOB P27338 2/20 0.35
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 1/20 0.35
TDP1 Q9NUW8 2/20 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
SCHEMBL24352244 0.79 USP2 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24353025 0.79 PSEN1 (0.40) CETPPSEN1PSEN2APH1BNCSTN
SCHEMBL6527647 0.79 APP (0.45) CETPPSEN1PSEN2APH1BNCSTN
SCHEMBL23815018 0.78 PSEN1 (0.38) CETPPSEN1PSEN2APH1BNCSTN
SCHEMBL24352861 0.76 KMT2A (0.49) LMNAPOLBMAPTNPSR1GAA
SCHEMBL10204660 0.76 ALDH1A1 (0.44) CETPPSEN1PSEN2APH1BNCSTN
SCHEMBL24352245 0.76 KMT2A (0.49) LMNAPOLBMAPTNPSR1GAA
SCHEMBL28601887 0.75 CETP (0.38) CETPPSEN1PSEN2APH1BNCSTN
SCHEMBL6527642 0.75 PARP10 (0.54) LMNAPOLBMAPTNPSR1MAOB
SCHEMBL21811075 0.75 MAPT (0.40) CETPPSEN1PSEN2APH1BNCSTN

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-20220030868-A1 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES FMC CORPORATION 2022-02-03 US disclosed
WO-2021183707-A2 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES AND THEIR MIXTURES FMC CORPORATION (US) 2021-09-16 WO disclosed
WO-2020056090-A1 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES FMC CORPORATION (US) 2020-03-19 WO 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-20220030868-A1 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES TUBA1A, TTBK1, TUBA1B CETP 3191/4885PSEN1 1819/4885PSEN2 2611/4885

“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.