SCHEMBL21138457

SCHEMBL21138457

CCOC(=O)N1CCCCCCC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
TSHR P16473 2/20 0.61
THRB P10828 1/20 0.59
ATM Q13315 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
POLB P06746 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HTT P42858 1/20 0.59
GAA P10253 4/20 0.55
RECQL P46063 1/20 0.55
KDM4E B2RXH2 3/20 0.53
MAPT P10636 2/20 0.50
MAPK1 P28482 1/20 0.50
ABL1 P00519 1/20 0.50
RIN1 Q13671 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CHRM1 P11229 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL11488922 1.00 ALDH1A1 (0.61) ALDH1A1TSHRTHRBATML3MBTL1
SCHEMBL11402027 1.00 ALDH1A1 (0.61) ALDH1A1TSHRTHRBATML3MBTL1
SCHEMBL8710504 1.00 ALDH1A1 (0.61) ALDH1A1TSHRTHRBATML3MBTL1
SCHEMBL675456 1.00 ALDH1A1 (0.61) ALDH1A1TSHRTHRBATML3MBTL1
SCHEMBL1292196 1.00 ALDH1A1 (0.61) ALDH1A1TSHRTHRBATML3MBTL1
Hydrochloric Acid SCHEMBL1770298 0.98 ALDH1A1 (0.59) ALDH1A1TSHRTHRBATML3MBTL1
Bromide SCHEMBL31591109 0.98 ALDH1A1 (0.59) ALDH1A1TSHRTHRBATML3MBTL1
SCHEMBL2223429 0.98 TSHR (0.63) ALDH1A1TSHRTHRBATML3MBTL1
SCHEMBL3635136 0.98 TSHR (0.63) ALDH1A1TSHRTHRBATML3MBTL1
Butane SCHEMBL7959791 0.96 ALDH1A1 (0.58) ALDH1A1TSHRTHRBATML3MBTL1

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 2 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

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 1644/4885TSHR 4597/4885THRB 4781/4885

“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.