SCHEMBL13490815

SCHEMBL13490815

CCOC(=O)CCCOc1cc(CC)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAPK1 P28482 3/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYSLTR2 Q9NS75 1/20 0.45
▸ CYSLTR1 Q9Y271 1/20 0.45
▸ TNF P01375 1/20 0.44
▸ CNR1 P21554 4/20 0.43
▸ CNR2 P34972 4/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ FFAR1 O14842 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42

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
SCHEMBL14832413 0.86 BRD4 (0.47) BRD4SMN1; SMN2MAPK1L3MBTL1TSHR
SCHEMBL13490812 0.84 PPARA (0.49) SMN1; SMN2MAPK1L3MBTL1ALDH1A1PPARG
SCHEMBL13490816 0.84 FFAR1 (0.54) CNR1CNR2FFAR1PPARGPPARD
SCHEMBL229166 0.82 SMN1; SMN2 (0.50) SMN1; SMN2CNR1CNR2PPARGPPARA
SCHEMBL12698684 0.81 ALDH1A1 (0.67) BRD4MAPK1L3MBTL1TSHRTDP1
SCHEMBL1052227 0.81 PTGS2 (0.50) SMN1; SMN2CNR1CNR2PPARGPPARA
SCHEMBL8981963 0.80 BRD4 (0.56) BRD4L3MBTL1CYSLTR2CYSLTR1LTA4H
SCHEMBL13008060 0.80 MAPT (0.47) TSHRALDH1A1LTA4HPPARGPPARA
SCHEMBL28396646 0.80 PPARA (0.68) BRD4CYSLTR2CYSLTR1FFAR1PPARG
SCHEMBL13490817 0.80 CNR1 (0.51) SMN1; SMN2ALDH1A1CNR1CNR2FFAR1

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-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 — — 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-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE BRD4 344/4885SMN1; SMN2 2582/4885MAPK1 2507/4885

“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.

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