SCHEMBL15314792

SCHEMBL15314792

Cc1ccccc1C(F)(F)CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 4/20 0.36
ATM Q13315 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDK2 Q15119 2/20 0.36
PDK1 Q15118 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
KIF11 P52732 1/20 0.35
CHRM3 P20309 1/20 0.34
CASR P41180 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL13199244 0.83 ATM (0.45) GABRA1GABRB2TDP1ATMALDH1A1
SCHEMBL22886814 0.82 KIF11 (0.42) ACHEGABRA1GABRB2TDP1ATM
SCHEMBL20318419 0.80 ACHE (0.39) ACHEGABRA1GABRB2TSHRTDP1
SCHEMBL29058863 0.78 KIF11 (0.41) ACHEGABRA1GABRB2TSHRTDP1
Hydrochloric Acid SCHEMBL23451393 0.77 KIF11 (0.41) ACHETSHRTDP1ATMALDH1A1
SCHEMBL872872 0.76 GABRA1 (0.43) ACHEGABRA1GABRB2TSHRTDP1
SCHEMBL4583252 0.76 GABRA1 (0.43) ACHEGABRA1GABRB2TSHRTDP1
SCHEMBL30148544 0.76 KCNN4 (0.40) ACHEALDH1A1PDK2PDK1PDK3
SCHEMBL28512426 0.76 TSHR (0.39) ACHEGABRA1GABRB2TSHRTDP1
SCHEMBL9277677 0.76 KCNN4 (0.40) ACHEALDH1A1PDK2PDK1PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2650276-B1 METHOD FOR PRODUCING BETA-FLUOROALCOHOL CENTRAL GLASS CO LTD (JP) 2017-01-25 EP disclosed
US-8658840-B2 Method for producing β-fluoroalcohol CENTRAL GLASS COMPANY, LIMITED (JP) 2014-02-25 US disclosed
US-8658840-B2 Method for producing β-fluoroalcohol CENTRAL GLASS COMPANY, LIMITED (JP) 2014-02-25 US disclosed
US-20130303774-A1 Method For Producing Beta-Fluoroalcohol CENTRAL GLASS COMPANY, LIMITED (JP) 2013-11-14 US disclosed
US-20130303774-A1 Method For Producing Beta-Fluoroalcohol CENTRAL GLASS COMPANY, LIMITED (JP) 2013-11-14 US disclosed
EP-2650276-A1 METHOD FOR PRODUCING -FLUOROALCOHOL Central Glass Company, Limited (JP) 2013-10-16 EP 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-20130303774-A1 Method For Producing Beta-Fluoroalcohol FNTB, ADH1A, EBP ACHE 1546/4885GABRA1 1644/4885GABRB2 814/4885

“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.