SCHEMBL4228115

SCHEMBL4228115

CC1=C2CCC[C@H](O)[C@@]2(C)CCC1=Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.44
▸ CYP19A1 P11511 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ F3 P13726 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ ALDH1A1 P00352 6/20 0.34
▸ HTT P42858 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MGAM O43451 3/20 0.33
▸ GAA P10253 3/20 0.33
▸ SI P14410 3/20 0.33
▸ MGAM2 Q2M2H8 3/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ RCE1 Q9Y256 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
SCHEMBL4228111 1.00 HPGD (0.44) HPGDCYP19A1MAPTCYP1A2F3
SCHEMBL4222743 0.81 HPGD (0.39) HPGDCYP19A1MAPTCYP1A2F3
SCHEMBL4226667 0.81 CYP1A2 (0.41) HPGDCYP19A1MAPTCYP1A2F3
SCHEMBL4543260 0.81 CYP1A2 (0.41) HPGDCYP19A1MAPTCYP1A2F3
SCHEMBL4226661 0.81 CYP1A2 (0.41) HPGDCYP19A1MAPTCYP1A2F3
SCHEMBL4222741 0.81 HPGD (0.39) HPGDCYP19A1MAPTCYP1A2F3
SCHEMBL4232997 0.79 SHBG (0.34) —
SCHEMBL13910068 0.79 SHBG (0.34) —
SCHEMBL4233002 0.79 SHBG (0.34) —
SCHEMBL4234810 0.79 SHBG (0.34) —

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 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 HPGD 3033/4885CYP19A1 2454/4885MAPT 17/4885

“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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