SCHEMBL19916988

SCHEMBL19916988

CC1CC(O)CC(C(=O)OCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HPGD P15428 1/20 0.45
HTR2C P28335 1/20 0.44
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
NAMPT P43490 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
STS P08842 1/20 0.41
GAA P10253 1/20 0.41
CPB1 P15086 1/20 0.41

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
SCHEMBL18717597 0.93 ALDH1A1 (0.53) TSHRALDH1A1HPGDHTR2CFABP7
SCHEMBL11939907 0.93 ALDH1A1 (0.53) TSHRALDH1A1HPGDHTR2CFABP7
SCHEMBL12035537 0.93 ALDH1A1 (0.53) TSHRALDH1A1HPGDHTR2CFABP7
SCHEMBL795705 0.91 ALDH1A1 (0.55) TSHRALDH1A1HPGDFABP7FABP5
SCHEMBL3735385 0.91 ALDH1A1 (0.55) TSHRALDH1A1HPGDFABP7FABP5
SCHEMBL16468277 0.91 ALDH1A1 (0.55) TSHRALDH1A1HPGDFABP7FABP5
SCHEMBL17390977 0.83 ALDH1A1 (0.60) TSHRALDH1A1HPGDFABP7FABP5
SCHEMBL9002126 0.83 ALDH1A1 (0.60) TSHRALDH1A1HPGDFABP7FABP5
SCHEMBL17391194 0.83 ALDH1A1 (0.60) TSHRALDH1A1HPGDFABP7FABP5
SCHEMBL17390980 0.83 ALDH1A1 (0.60) TSHRALDH1A1HPGDFABP7FABP5

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 TSHR 4597/4885ALDH1A1 1644/4885HPGD 252/4885

“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.