SCHEMBL7074032

SCHEMBL7074032

CC1=CC(C)(C)Nc2cc3c(cc21)CCC3

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.61
▸ ALDH1A1 P00352 5/20 0.61
▸ MAPT P10636 4/20 0.61
▸ HPGD P15428 3/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ LMNA P02545 1/20 0.61
▸ PGR P06401 14/20 0.56
▸ TDP1 Q9NUW8 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ GAA P10253 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ AR P10275 1/20 0.47

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
SCHEMBL30973139 0.83 KDM4E (0.83) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL8808416 0.73 PGR (0.53) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL9370506 0.72 PGR (1.00) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL31489985 0.69 ALDH1A1 (0.73) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL941508 0.69 ALDH1A1 (1.00) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL941591 0.69 ALDH1A1 (0.73) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL7675192 0.68 PGR (0.67) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL7069912 0.67 ALDH1A1 (0.58) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL6649160 0.67 ALDH1A1 (0.59) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL21861904 0.67 ALDH1A1 (0.59) KDM4EALDH1A1MAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 KDM4E 4560/4885ALDH1A1 390/4885MAPT 2186/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 KDM4E 3447/4885ALDH1A1 3738/4885MAPT 4577/4885

“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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