SCHEMBL2175522

SCHEMBL2175522

COC(=O)Cc1cc(O)c2cc(C(F)(F)F)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CFTR P13569 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
AKR1C3 P42330 1/20 0.38
HTT P42858 1/20 0.38
CSNK1D P48730 2/20 0.38
PDK2 Q15119 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
TDO2 P48775 1/20 0.36
MPL P40238 1/20 0.36

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
SCHEMBL3320334 0.85 KDM4E (0.42) HSP90AB1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL2171906 0.83 HSP90AB1 (0.50) HSP90AB1LMNAALDH1A1GAAGFER
SCHEMBL3246457 0.82 KMT2A (0.47) HSP90AB1LMNAALDH1A1GAAGFER
SCHEMBL11466806 0.82 LMNA (0.51) HSP90AB1LMNAALDH1A1GAAGFER
SCHEMBL11467699 0.81 HSP90AB1 (0.50) HSP90AB1ALDH1A1GAAGFERMAPT
SCHEMBL2176876 0.80 CYP11B1 (0.51) HSP90AB1LMNAALDH1A1GAAGFER
SCHEMBL2175327 0.80 HSP90AB1 (0.49) HSP90AB1ALDH1A1GAAGFERMAPT
SCHEMBL27828561 0.79 ALDH1A1 (0.40) LMNAALDH1A1MAPTKDM4EMEN1
SCHEMBL2171172 0.77 HSP90AB1 (0.53) HSP90AB1ALDH1A1GAAGFERMAPT
SCHEMBL841124 0.75 CYP4F2 (0.58) HSP90AB1LMNAALDH1A1GAAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US disclosed
EP-2346819-B1 NAPHTHYLACETIC ACIDS HOFFMANN LA ROCHE (CH) 2013-04-10 EP disclosed
EP-2346819-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
WO-2010055004-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 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-20100125058-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 HSP90AB1 4290/4885LMNA 1698/4885ALDH1A1 746/4885

“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.