SCHEMBL1105439

SCHEMBL1105439

COc1cc(C(F)(F)F)cc(C)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL30951357 1.00 HPGD (0.43) HPGDRXRARXRBKDM4EUSP2
SCHEMBL421721 0.91 CA12 (0.52) HPGDRXRARXRBKDM4EUSP2
SCHEMBL31092882 0.85 LMNA (0.44) HPGDKDM4EUSP2ALDH1A1CYP2C19
SCHEMBL31258876 0.85 SLC6A9 (0.48) HPGDKDM4EUSP2ALDH1A1CYP2C19
SCHEMBL26488238 0.85 LMNA (0.44) HPGDKDM4EUSP2ALDH1A1CYP2C19
SCHEMBL10153576 0.85 NOTUM (0.47) HPGDPOLBCYP3A4SLC6A9GAA
SCHEMBL420816 0.85 SLC6A9 (0.48) HPGDKDM4EUSP2ALDH1A1CYP2C19
SCHEMBL422420 0.83 LCK (0.45) HPGDKDM4EUSP2ALDH1A1CYP2C19
SCHEMBL422352 0.83 RXRA (0.51) HPGDRXRARXRBKDM4EUSP2
SCHEMBL420868 0.82 CETP (0.44) HPGDRXRARXRBKDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585456-B1 AMIDO-TROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-09-16 EP disclosed
EP-2585456-B1 AMIDO-TROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-09-16 EP disclosed
EP-2531190-B1 TETRAHYDRO-PYRAN DERIVATIVES AGAINST NEUROLOGICAL ILLNESSES HOFFMANN LA ROCHE (CH) 2014-07-23 EP disclosed
EP-2531190-B1 TETRAHYDRO-PYRAN DERIVATIVES AGAINST NEUROLOGICAL ILLNESSES HOFFMANN LA ROCHE (CH) 2014-07-23 EP disclosed
US-8524909-B2 Tetrahydro-pyran derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 US disclosed
US-8524909-B2 Tetrahydro-pyran derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 US disclosed
US-8524909-B2 Tetrahydro-pyran derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 US disclosed
EP-2585456-A1 AMIDO-TROPANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-01 EP disclosed
EP-2531190-A1 TETRAHYDRO-PYRAN DERIVATIVES AGAINST NEUROLOGICAL ILLNESSES F. Hoffmann-La Roche AG (CH) 2012-12-12 EP disclosed
US-8153653-B2 Amido-tropane derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-10 US disclosed
US-8153653-B2 Amido-tropane derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-10 US disclosed
WO-2011161006-A1 AMIDO-TROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-12-29 WO disclosed
WO-2011161006-A1 AMIDO-TROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-12-29 WO disclosed
US-20110312993-A1 AMIDO-TROPANE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-12-22 US disclosed
US-20110312993-A1 AMIDO-TROPANE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-12-22 US disclosed
WO-2011095434-A1 TETRAHYDRO-PYRAN DERIVATIVES AGAINST NEUROLOGICAL ILLNESSES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
WO-2011095434-A1 TETRAHYDRO-PYRAN DERIVATIVES AGAINST NEUROLOGICAL ILLNESSES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
US-20110190349-A1 TETRAHYDRO-PYRAN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-04 US disclosed
US-20110190349-A1 TETRAHYDRO-PYRAN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-04 US disclosed
US-20110190349-A1 TETRAHYDRO-PYRAN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-04 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-20110312993-A1 AMIDO-TROPANE DERIVATIVES SLC1A2, SLC18A2, SLC6A1 HPGD 2914/4885RXRA 3708/4885RXRB 3099/4885
US-20110190349-A1 TETRAHYDRO-PYRAN DERIVATIVES GLRA1, GRIA1, GLRA2 HPGD 1323/4885RXRA 754/4885RXRB 683/4885

“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.