SCHEMBL21138207

SCHEMBL21138207

CC1=C(C(=O)OCc2ccccc2)CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 6/20 0.53
LMNA P02545 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
TSHR P16473 2/20 0.48
MAPT P10636 3/20 0.47
HPGD P15428 1/20 0.47
ELANE P08246 1/20 0.46
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP3A4 P08684 1/20 0.46
HCAR2 Q8TDS4 1/20 0.45
RAB9A P51151 4/20 0.45

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
SCHEMBL8833118 0.84 TDP1 (0.56) TDP1SLC6A2SLC6A3KMT2AALDH1A1
SCHEMBL19917138 0.77 ALDH1A1 (0.46) TDP1SLC6A2SLC6A3KMT2AALDH1A1
SCHEMBL30777654 0.77 ALDH1A1 (0.52) TDP1SLC6A2SLC6A3KMT2AALDH1A1
SCHEMBL3042193 0.77 TDP1 (0.59) TDP1SLC6A2SLC6A3KMT2AALDH1A1
SCHEMBL6538246 0.76 KDM4E (0.50) TDP1KMT2AALDH1A1LMNATSHR
SCHEMBL21138206 0.76 ALDH1A1 (0.43) TDP1SLC6A2SLC6A3KMT2AALDH1A1
SCHEMBL19917161 0.76 CYP3A4 (0.45) TDP1SLC6A2SLC6A3KMT2AALDH1A1
SCHEMBL11262327 0.75 KMT2A (0.60) TDP1SLC6A2SLC6A3KMT2AALDH1A1
SCHEMBL19917163 0.74 GPBAR1 (0.43) TDP1SLC6A2SLC6A3KMT2AALDH1A1
SCHEMBL8480122 0.74 KDM4E (0.48) TDP1KMT2AALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A TDP1 392/4885SLC6A2 1243/4885SLC6A3 1351/4885

“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.