SCHEMBL10102650

SCHEMBL10102650

CC(=O)Oc1cccc(-c2nc3ccc(C(C)(C)C)cc3cc2CCCO)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ADORA2A P29274 1/20 0.39
CYP3A4 P08684 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
GAPDH P04406 2/20 0.35
ELANE P08246 1/20 0.34
MAOB P27338 1/20 0.33
NAMPT P43490 1/20 0.33
ACHE P22303 1/20 0.33
DHODH Q02127 1/20 0.32
F2 P00734 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL3386183 0.83 PIK3CG (0.40) LMNAMAPTALDH1A1HPGD
SCHEMBL13005210 0.83 AKT1 (0.39) ALDH1A1DHODHHPGD
SCHEMBL10102655 0.82 PDE4B (0.37) MAPT
SCHEMBL10102645 0.80 CNR2 (0.38) ALDH1A1ADORA2ACYP3A4NAMPTGLA
SCHEMBL10102638 0.75 GPBAR1 (0.42)
SCHEMBL10102653 0.74 CTSK (0.40) ALDH1A1NAMPTDHODHHPGD
SCHEMBL10102633 0.72 RPS6KB2 (0.40) LMNAMAPTALDH1A1ADORA2AHPGD
SCHEMBL3383001 0.72 DHODH (0.45) DHODH
SCHEMBL13004730 0.71 ERCC5 (0.35) ALDH1A1PDE3BPDE3ADHODHHPGD
SCHEMBL10107980 0.71 SCN10A (0.35) NAMPT

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-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
US-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
EP-1891011-B1 TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 MERCK PATENT GMBH (DE) 2010-12-08 EP disclosed
US-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 MERCK PATENT GMBH (DE) 2008-08-21 US disclosed
US-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 MERCK PATENT GMBH (DE) 2008-08-21 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-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 KIF5A, KIF5C, KIF5B LMNA 2577/4885MAPT 538/4885ALDH1A1 3886/4885

“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.