SCHEMBL7074003

SCHEMBL7074003

CCCCCOc1ccc2c(c1)C(C)=CC(C)(C)N2

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.75
KDM4E B2RXH2 9/20 0.75
HPGD P15428 8/20 0.75
HSD17B10 Q99714 7/20 0.75
LMNA P02545 7/20 0.75
MEN1 O00255 5/20 0.75
KMT2A Q03164 5/20 0.75
TDP1 Q9NUW8 4/20 0.75
CYP3A4 P08684 3/20 0.75
CYP1A2 P05177 2/20 0.75
CYP2D6 P10635 2/20 0.75
CYP2C9 P11712 2/20 0.75
CYP2C19 P33261 2/20 0.75
ALOX15 P16050 1/20 0.75
ALOX12 P18054 1/20 0.75
HIF1A Q16665 1/20 0.75
GAA P10253 1/20 0.56
MAPT P10636 11/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL11598659 0.99 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL10663623 0.99 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL7068925 0.97 ALDH1A1 (0.79) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL11349869 0.94 ALDH1A1 (0.78) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL11150477 0.93 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL11405935 0.93 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL11161675 0.93 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL11161400 0.93 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL11408033 0.92 ALDH1A1 (0.79) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL11154897 0.92 ALDH1A1 (0.78) ALDH1A1KDM4EHPGDHSD17B10LMNA

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-9527817-B2 Compounds for treating peripheral; neuropathies and other neurodegenerative; disorders THE JOHNS HOPKINS UNIVERSITY (US) 2016-12-27 US disclosed
US-20140303203-A1 COMPOUNDS FOR TREATING PERIPHERAL; NEUROPATHIES AND OTHER NEURODEGENERATIVE; DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2014-10-09 US disclosed
WO-2012177831-A2 COMPOUNDS FOR TREATING PERIPHERAL NEUROPATHIES AND OTHER NEURODEGENERATIVE DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2012-12-27 WO disclosed
US-20030176314-A1 Compounds for the treatment of pain H. LUNDBECK A/S (DK) 2003-09-18 US disclosed
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors H. LUNDBECK A/S (DK) 2003-07-24 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 (3 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-20030176314-A1 Compounds for the treatment of pain NPFFR2, NPFFR1, OPRL1 ALDH1A1 390/4885KDM4E 4560/4885HPGD 537/4885
US-20140303203-A1 COMPOUNDS FOR TREATING PERIPHERAL; NEUROPATHIES AND OTHER NEURODEGENERATIVE; DISORDERS HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 1950/4885KDM4E 4529/4885HPGD 1294/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 ALDH1A1 3738/4885KDM4E 3447/4885HPGD 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.