SCHEMBL4120868

SCHEMBL4120868

Nc1ccc(Cl)cc1OCCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALOX15 P16050 3/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.39
S1PR4 O95977 1/20 0.39
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX12 P18054 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
NUDT1 P36639 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
SCHEMBL5094816 0.91 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1L3MBTL1TP53
SCHEMBL358810 0.86 PRSS1 (0.47) ALDH1A1LMNAMAPK1L3MBTL1TP53
SCHEMBL12505353 0.84 PRSS1 (0.50) ALDH1A1LMNAMAPK1L3MBTL1TP53
Hydrochloric Acid SCHEMBL12505367 0.84 ALDH1A1 (0.50) ALDH1A1LMNAMAPK1L3MBTL1TP53
SCHEMBL3785269 0.82 CYP1A2 (0.58) ALDH1A1MAPK1L3MBTL1TP53SMN1; SMN2
SCHEMBL29684233 0.81 CYP1A2 (0.51) ALDH1A1MAPK1L3MBTL1TP53SMN1; SMN2
SCHEMBL8263900 0.81 LMNA (0.48) ALDH1A1LMNAMAPK1L3MBTL1SMN1; SMN2
SCHEMBL3784669 0.80 MAPT (0.51) ALDH1A1MAPK1L3MBTL1TP53SMN1; SMN2
SCHEMBL1306792 0.79 LMNA (0.48) ALDH1A1LMNAMAPK1L3MBTL1TP53
SCHEMBL29684472 0.79 HTR2C (0.49) ALDH1A1LMNAMAPK1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR ALDH1A1 1587/4885LMNA 1109/4885MAPK1 3840/4885

“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.