SCHEMBL4228864

SCHEMBL4228864

CC1=C2CCC[C@H](O)[C@@]2(Cc2ccccc2)CC(=Cc2cccc(Br)c2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.41
▸ MAOA P21397 4/20 0.38
▸ MAOB P27338 4/20 0.38
▸ XDH P47989 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ CARM1 Q86X55 5/20 0.35
▸ ACHE P22303 1/20 0.35
▸ MGAM O43451 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ SI P14410 2/20 0.34
▸ MGAM2 Q2M2H8 2/20 0.34
▸ PPARG P37231 1/20 0.34
▸ MCL1 Q07820 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CISD1 Q9NZ45 2/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 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
SCHEMBL4228861 1.00 HSD11B1 (0.41) HSD11B1MAOAMAOBXDHEGFR
SCHEMBL4227589 0.91 CYP1A2 (0.37) MAOBEGFRACHEMGAMGAA
SCHEMBL4227584 0.91 CYP1A2 (0.37) MAOBEGFRACHEMGAMGAA
SCHEMBL4233709 0.89 NFE2L2 (0.42) MAOAMAOBCARM1ACHEMGAM
SCHEMBL4233711 0.89 NFE2L2 (0.42) MAOAMAOBCARM1ACHEMGAM
SCHEMBL4235725 0.84 HSD11B1 (0.38) HSD11B1EGFRACHEMGAMGAA
SCHEMBL4235727 0.84 HSD11B1 (0.38) HSD11B1EGFRACHEMGAMGAA
SCHEMBL4237652 0.84 CYP19A1 (0.38) ACHEALDH1A1
SCHEMBL4237655 0.84 CYP19A1 (0.38) ACHEALDH1A1
SCHEMBL4237636 0.82 ESR1 (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062401-A1 DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS UNIVERSITAT DORTMUND (DE) 2009-03-05 — — US claimed
EP-1841723-A1 DECALINE DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS Universität Dortmund (DE) 2007-10-10 — — EP claimed
WO-2006069787-A1 DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS Universität Dortmund (DE) 2006-07-06 — — WO claimed

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-20090062401-A1 DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS CHAT, DLAT, CPT1A HSD11B1 43/4885MAOA 1501/4885MAOB 1823/4885

“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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