SCHEMBL3521606

SCHEMBL3521606

COc1cc(OC)c2c(c1)N(C(C)=O)C(C)(C)C=C2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
ALDH1A1 P00352 10/20 0.44
MAPT P10636 9/20 0.44
KDM4E B2RXH2 5/20 0.44
ALOX12 P18054 4/20 0.44
HTT P42858 4/20 0.44
GAA P10253 4/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.38
CYP3A4 P08684 2/20 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
SCHEMBL1323562 0.78 MAPT (0.70) LMNAALDH1A1MAPTKDM4EALOX12
SCHEMBL6567228 0.75 ALDH1A1 (0.65) LMNAALDH1A1MAPTKDM4EALOX12
SCHEMBL2195130 0.74 LMNA (0.52) LMNAALDH1A1MAPTKDM4EALOX12
SCHEMBL18121383 0.74 LMNA (0.39) LMNAALDH1A1MAPTKDM4EALOX12
SCHEMBL27614498 0.73 SMN1; SMN2 (0.34) LMNAALDH1A1HTTMAPK1SMN1; SMN2
SCHEMBL12417554 0.72 LMNA (0.50) LMNAALDH1A1MAPTKDM4EALOX12
SCHEMBL18121382 0.71 TNF (0.43) LMNAALDH1A1MAPTKDM4EALOX12
SCHEMBL25198969 0.70 LMNA (0.62) LMNAALDH1A1MAPTKDM4EALOX12
SCHEMBL25221659 0.68 ALDH1A1 (0.70) LMNAALDH1A1MAPTKDM4EGAA
SCHEMBL1323561 0.68 LMNA (0.58) LMNAALDH1A1MAPTKDM4EALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858794-B2 Tetrahydroquinoline derivatives N.V. ORGANON (NL) 2010-12-28 US disclosed
EP-1578726-B1 TETRAHYDROQUINOLINE DERIVATIVES ORGANON NV (NL) 2009-02-25 EP disclosed
US-20060142334-A1 Tetrahydroquinoline derivatives MERCK SHARP & DOHME B.V. (NL) 2006-06-29 US disclosed
EP-1578726-A2 TETRAHYDROQUINOLINE DERIVATIVES Akzo Nobel N.V. (NL) 2005-09-28 EP disclosed
WO-2004056780-A2 TETRAHYDROQUINOLINE DERIVATIVES AKZO NOBEL N.V. (NL) 2004-07-08 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-20060142334-A1 Tetrahydroquinoline derivatives GNRHR, KCNH3, HCAR3 LMNA 2156/4885ALDH1A1 1133/4885MAPT 4864/4885

“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.