SCHEMBL5173306

SCHEMBL5173306

CCOC(=O)C(O)(CC1=CCOc2ccccc21)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 3/20 0.40
MAPT P10636 5/20 0.36
TAAR1 Q96RJ0 2/20 0.36
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PIN1 Q13526 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 2/20 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
SCHEMBL4597752 0.84 POLB (0.42) POLBNPSR1ALDH1A1MAPTTAAR1
SCHEMBL5172909 0.78 POLB (0.48) POLBNPSR1ALDH1A1MAPTTAAR1
SCHEMBL27701390 0.76 POLB (0.48) POLBNPSR1ALDH1A1MAPTTAAR1
SCHEMBL19985040 0.75 SMN1; SMN2 (0.39) POLBALDH1A1MAPTNPC1RAB9A
SCHEMBL5174880 0.73 PKM (0.31)
SCHEMBL12555524 0.72 POLB (0.65) POLBNPSR1ALDH1A1MAPTTAAR1
SCHEMBL27682245 0.71 POLB (0.43) POLBNPSR1ALDH1A1MAPTTAAR1
SCHEMBL9296428 0.70 ALDH1A1 (0.46) POLBNPSR1ALDH1A1MAPTLMNA
SCHEMBL9043334 0.69 AKR1B1 (0.40) ALDH1A1LMNAKDM4EGAAHPGD
SCHEMBL17041348 0.67 MTNR1A (0.37) POLBALDH1A1MAPTLMNANPC1

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
EP-1869013-A1 SUBSTITUTED CHROMAN DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF ANTIPHLOGISTICS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-26 EP disclosed
US-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents SCHERING AG (DE) 2007-06-07 US disclosed
WO-2006108711-A1 SUBSTITUTED CHROMAN DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF ANTIPHLOGISTICS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-19 WO disclosed
US-20060167025-A1 Tricyclic amino alcohols, processes for synthesis of same and use of same as anti-inflammatory drugs SCHERING AG (DE) 2006-07-27 US disclosed
WO-2006066950-A2 TRICYCLIC AMINOALCOHOLS, METHODS FOR PRODUCING THE SAME AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-06-29 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 (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-20060167025-A1 Tricyclic amino alcohols, processes for synthesis of same and use of same as anti-inflammatory drugs ALDH7A1, NOTUM, GOT2 POLB 2165/4885NPSR1 1384/4885ALDH1A1 62/4885
US-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents TNF, CXCL8, MPO POLB 2738/4885NPSR1 283/4885ALDH1A1 1563/4885

“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.