SCHEMBL5618038

SCHEMBL5618038

COc1cc(-c2ccc(C(C)C)cc2)cc2oc(=O)c(C)c(C)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ HPGD P15428 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ ERN1 O75460 1/20 0.46
▸ ALOX12 P18054 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ BCHE P06276 2/20 0.42
▸ ACHE P22303 2/20 0.42
▸ MAOA P21397 3/20 0.40
▸ MAOB P27338 3/20 0.40

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
SCHEMBL5618485 0.91 ALDH1A1 (0.61) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL9694981 0.88 ERN1 (0.41) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL9695928 0.88 KDM4E (0.43) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL9695046 0.86 MAPT (0.53) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL5618611 0.86 ALDH1A1 (0.50) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL9695445 0.86 ALDH1A1 (0.43) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL5617520 0.85 MAPT (0.55) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL9695076 0.84 BRD4 (0.53) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL9695117 0.84 ALDH1A1 (0.47) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL5618509 0.82 ALDH1A1 (0.45) ALDH1A1HPGDMAPTKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 — — US claimed
JP-2157273-A — — None — — JP disclosed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 — — US disclosed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 — — WO disclosed
US-5100914-A Monoamine Oxidase Inhibitors, Central Nervous System Disorders BASF AKTIENGESELLSCHAFT (DE) 1992-03-31 — — US disclosed
JP-H02157273-A ARYLALKOXYCOUMARIN, ITS PRODUCTION AND THERAPEUTIC AGENT CONTAINING THE SAME BASF AG 1990-06-18 — — JP 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-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 ALDH1A1 664/4885HPGD 1525/4885MAPT 2325/4885

“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.

Send feedback