SCHEMBL19917036

SCHEMBL19917036

O=C(OCc1ccccc1)C1CC(O)CC(C(F)(F)F)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
NAMPT P43490 1/20 0.41
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
STS P08842 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
FKBP1A P62942 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL795705 0.87 ALDH1A1 (0.55) ALDH1A1NAMPTFABP7FABP5HPGD
SCHEMBL3735385 0.87 ALDH1A1 (0.55) ALDH1A1NAMPTFABP7FABP5HPGD
SCHEMBL16468277 0.87 ALDH1A1 (0.55) ALDH1A1NAMPTFABP7FABP5HPGD
SCHEMBL17390980 0.80 ALDH1A1 (0.60) ALDH1A1NAMPTFABP7FABP5HPGD
SCHEMBL9002126 0.80 ALDH1A1 (0.60) ALDH1A1NAMPTFABP7FABP5HPGD
SCHEMBL17391194 0.80 ALDH1A1 (0.60) ALDH1A1NAMPTFABP7FABP5HPGD
SCHEMBL17390977 0.80 ALDH1A1 (0.60) ALDH1A1NAMPTFABP7FABP5HPGD
SCHEMBL19916988 0.80 TSHR (0.47) ALDH1A1NAMPTFABP7FABP5HPGD
SCHEMBL24534721 0.78 ALDH1A1 (0.55) ALDH1A1NAMPTFABP7FABP5HPGD
SCHEMBL15137999 0.78 ALDH1A1 (0.55) ALDH1A1NAMPTFABP7FABP5HPGD

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
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 US disclosed
WO-2018038265-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 2018-03-01 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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A ALDH1A1 1644/4885NAMPT 289/4885FABP7 1487/4885

“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.