SCHEMBL4222553

SCHEMBL4222553

CC1=C2CCC[C@H](O)[C@@]2(C)CC(=Cc2ccc(F)cc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.44
▸ NPC1 O15118 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ IKBKB O14920 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ ACHE P22303 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ STAT3 P40763 1/20 0.33

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
SCHEMBL4222550 1.00 HSD11B1 (0.44) HSD11B1NPC1ALDH1A1IKBKBEGFR
SCHEMBL4227874 0.90 CYP2C9 (0.45) HSD11B1NPC1EGFRMAPTSMN1; SMN2
SCHEMBL4227868 0.90 CYP2C9 (0.45) HSD11B1NPC1EGFRMAPTSMN1; SMN2
SCHEMBL4227068 0.89 CYP1A2 (0.35) HSD11B1NPC1ACHEMAPTSMN1; SMN2
SCHEMBL4237370 0.89 EGFR (0.38) HSD11B1NPC1EGFRMAPTSMN1; SMN2
SCHEMBL4227860 0.89 AKR1C3 (0.40) HSD11B1NPC1ALDH1A1EGFRACHE
SCHEMBL4227066 0.89 CYP1A2 (0.35) HSD11B1NPC1ACHEMAPTSMN1; SMN2
SCHEMBL4227862 0.89 AKR1C3 (0.40) HSD11B1NPC1ALDH1A1EGFRACHE
SCHEMBL4237365 0.89 EGFR (0.38) HSD11B1NPC1EGFRMAPTSMN1; SMN2
SCHEMBL4543260 0.88 CYP1A2 (0.41) NPC1ALDH1A1EGFRACHEMAPT

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 43/4885NPC1 584/4885ALDH1A1 1533/4885

“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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