SCHEMBL4232906

SCHEMBL4232906

CC1=C2CCC[C@H](O)[C@@]2(C)CC(=Cc2ccc(-c3ccccc3)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 1/20 0.38
▸ MGAM O43451 3/20 0.36
▸ GAA P10253 3/20 0.36
▸ SI P14410 3/20 0.36
▸ MGAM2 Q2M2H8 3/20 0.36
▸ CYP1A2 P05177 3/20 0.35
▸ F3 P13726 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ PRKCA P17252 3/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RET P07949 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
SCHEMBL4232904 1.00 CYP26A1 (0.38) CYP26A1MGAMGAASIMGAM2
SCHEMBL4226667 0.93 CYP1A2 (0.41) MGAMGAASIMGAM2CYP1A2
SCHEMBL4543260 0.93 CYP1A2 (0.41) MGAMGAASIMGAM2CYP1A2
SCHEMBL4226661 0.93 CYP1A2 (0.41) MGAMGAASIMGAM2CYP1A2
SCHEMBL4220362 0.91 MGAM (0.39) MGAMGAASIMGAM2CYP1A2
SCHEMBL4220366 0.91 MGAM (0.39) MGAMGAASIMGAM2CYP1A2
SCHEMBL4220371 0.91 MGAM (0.39) MGAMGAASIMGAM2CYP1A2
SCHEMBL4233842 0.89 MGAM (0.34) MGAMGAASIMGAM2CYP1A2
SCHEMBL4227874 0.88 CYP2C9 (0.45) CYP26A1MGAMGAASIMGAM2
SCHEMBL4227868 0.88 CYP2C9 (0.45) CYP26A1MGAMGAASIMGAM2

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 1 patent. 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

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 CYP26A1 3176/4885MGAM 1002/4885GAA 708/4885

“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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