SCHEMBL12998374

SCHEMBL12998374

C=C1CCC(OC(C)=O)/C(C)=C/C[C@@H]2[C@@H]1CC2(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 1.00
▸ USP2 O75604 1/20 1.00
▸ PTGS1 P23219 1/20 0.46
▸ CNR2 P34972 2/20 0.45
▸ PPARA Q07869 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.41
▸ FTH1 P02794 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ABCB1 P08183 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ CYP19A1 P11511 4/20 0.35

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
SCHEMBL24176354 1.00 CYP3A4 (1.00) CYP3A4USP2PTGS1CNR2PPARA
SCHEMBL17633948 1.00 CYP3A4 (1.00) CYP3A4USP2PTGS1CNR2PPARA
SCHEMBL17627620 1.00 CYP3A4 (1.00) CYP3A4USP2PTGS1CNR2PPARA
SCHEMBL3504790 1.00 CYP3A4 (1.00) CYP3A4USP2PTGS1CNR2PPARA
SCHEMBL30808555 0.82 CYP3A4 (0.69) CYP3A4USP2PTGS1CNR2PPARA
SCHEMBL24176358 0.82 CYP3A4 (0.69) CYP3A4USP2PTGS1CNR2PPARA
SCHEMBL24176578 0.78 CYP3A4 (0.63) CYP3A4USP2PTGS1CNR2PPARA
SCHEMBL20608599 0.78 CYP3A4 (0.63) CYP3A4USP2PTGS1CNR2PPARA
SCHEMBL20608600 0.78 CYP3A4 (0.63) CYP3A4USP2PTGS1CNR2PPARA
SCHEMBL30808554 0.78 CYP3A4 (0.63) CYP3A4USP2PTGS1CNR2PPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-02 — — US disclosed
US-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-02 — — 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-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 CYP3A4 4800/4885USP2 1384/4885PTGS1 4733/4885

“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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