SCHEMBL4226661

SCHEMBL4226661

CC1=C2CCC[C@H](O)[C@@]2(C)C/C(=C\c2ccccc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.41
▸ F3 P13726 1/20 0.41
▸ MGAM O43451 3/20 0.39
▸ GAA P10253 3/20 0.39
▸ SI P14410 3/20 0.39
▸ MGAM2 Q2M2H8 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MAPT P10636 5/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ MIF P14174 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ EGFR P00533 1/20 0.36

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
SCHEMBL4226667 1.00 CYP1A2 (0.41) CYP1A2F3MGAMGAASI
SCHEMBL4543260 1.00 CYP1A2 (0.41) CYP1A2F3MGAMGAASI
SCHEMBL4220366 0.96 MGAM (0.39) CYP1A2F3MGAMGAASI
SCHEMBL4220371 0.96 MGAM (0.39) CYP1A2F3MGAMGAASI
SCHEMBL4220362 0.96 MGAM (0.39) CYP1A2F3MGAMGAASI
SCHEMBL4232906 0.93 CYP26A1 (0.38) CYP1A2F3MGAMGAASI
SCHEMBL4232904 0.93 CYP26A1 (0.38) CYP1A2F3MGAMGAASI
SCHEMBL4233842 0.90 MGAM (0.34) CYP1A2F3MGAMGAASI
SCHEMBL4227874 0.89 CYP2C9 (0.45) CYP1A2F3MGAMGAASI
SCHEMBL4227868 0.89 CYP2C9 (0.45) CYP1A2F3MGAMGAASI

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 4 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
US-20090062401-A1 DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS UNIVERSITAT DORTMUND (DE) 2009-03-05 — — US disclosed
EP-1841723-A1 DECALINE DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS Universität Dortmund (DE) 2007-10-10 — — EP disclosed
WO-2006069787-A1 DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS Universität Dortmund (DE) 2006-07-06 — — WO 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-20090062401-A1 DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS CHAT, DLAT, CPT1A CYP1A2 2000/4885F3 4439/4885MGAM 1002/4885

“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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