SCHEMBL4220362

SCHEMBL4220362

CC1=C2CCC[C@H](O)[C@@]2(C)C/C(=C\c2ccc(/C=C/c3ccccc3)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 3/20 0.39
▸ GAA P10253 3/20 0.39
▸ SI P14410 3/20 0.39
▸ MGAM2 Q2M2H8 3/20 0.39
▸ CYP1A2 P05177 3/20 0.38
▸ F3 P13726 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SRD5A1 P18405 3/20 0.34
▸ SRD5A2 P31213 3/20 0.34
▸ CYP19A1 P11511 1/20 0.34

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
SCHEMBL4220366 1.00 MGAM (0.39) MGAMGAASIMGAM2CYP1A2
SCHEMBL4220371 1.00 MGAM (0.39) MGAMGAASIMGAM2CYP1A2
SCHEMBL4543260 0.96 CYP1A2 (0.41) MGAMGAASIMGAM2CYP1A2
SCHEMBL4226667 0.96 CYP1A2 (0.41) MGAMGAASIMGAM2CYP1A2
SCHEMBL4226661 0.96 CYP1A2 (0.41) MGAMGAASIMGAM2CYP1A2
SCHEMBL4232906 0.91 CYP26A1 (0.38) MGAMGAASIMGAM2CYP1A2
SCHEMBL4232904 0.91 CYP26A1 (0.38) MGAMGAASIMGAM2CYP1A2
SCHEMBL4233842 0.89 MGAM (0.34) MGAMGAASIMGAM2CYP1A2
SCHEMBL4227868 0.88 CYP2C9 (0.45) MGAMGAASIMGAM2CYP1A2
SCHEMBL4227874 0.88 CYP2C9 (0.45) MGAMGAASIMGAM2CYP1A2

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 disclosed
US-20090062401-A1 DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS UNIVERSITAT DORTMUND (DE) 2009-03-05 — — US disclosed
US-20090062401-A1 DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS UNIVERSITAT DORTMUND (DE) 2009-03-05 — — 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 (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 MGAM 1002/4885GAA 708/4885SI 2598/4885

“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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