SCHEMBL2990676

SCHEMBL2990676

CC1(C(N)=O)CCCC2(C)c3ccc(C(=O)O)cc3CCC12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.71
▸ LMNA P02545 1/20 0.71
▸ PDE4D Q08499 1/20 0.67
▸ KARS1 Q15046 5/20 0.59
▸ RXRA P19793 1/20 0.59
▸ CCNE1 P24864 1/20 0.59
▸ CDK2 P24941 1/20 0.59
▸ RXRB P28702 1/20 0.59
▸ RXRG P48443 1/20 0.59
▸ POLB P06746 1/20 0.58
▸ APEX1 P27695 1/20 0.58
▸ SOD1 P00441 1/20 0.56
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ POLA1 P09884 4/20 0.52
▸ NR1H2 P55055 3/20 0.50

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
SCHEMBL2980020 0.91 LMNA (0.71) CYP3A4LMNAPDE4DKARS1RXRA
SCHEMBL2980024 0.88 CYP3A4 (0.73) CYP3A4LMNAPDE4DKARS1RXRA
SCHEMBL2994458 0.86 SOD1 (0.75) CYP3A4LMNAPDE4DKARS1RXRA
SCHEMBL13208223 0.86 CYP3A4 (0.73) CYP3A4LMNAPDE4DKARS1RXRA
SCHEMBL2991215 0.86 LMNA (0.73) CYP3A4LMNAPDE4DKARS1RXRA
SCHEMBL2989817 0.85 CYP3A4 (0.66) CYP3A4LMNAPDE4DKARS1RXRA
SCHEMBL2985207 0.85 LMNA (0.72) CYP3A4LMNAPDE4DKARS1RXRA
SCHEMBL2993685 0.84 LMNA (0.71) CYP3A4LMNAPDE4DKARS1RXRA
SCHEMBL31255935 0.83 PDE4D (0.85) CYP3A4LMNAPDE4DKARS1RXRA
SCHEMBL2992662 0.83 LMNA (0.64) CYP3A4LMNAPDE4DKARS1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776558-B2 Human G protein-coupled receptor and modulators thereof for the treatment of cell death-related disorders ARENA PHARMACEUTICALS, INC. (US) 2010-08-17 — — US disclosed
US-7776558-B2 Human G protein-coupled receptor and modulators thereof for the treatment of cell death-related disorders ARENA PHARMACEUTICALS, INC. (US) 2010-08-17 — — US disclosed
US-7776558-B2 Human G protein-coupled receptor and modulators thereof for the treatment of cell death-related disorders ARENA PHARMACEUTICALS, INC. (US) 2010-08-17 — — US disclosed
US-20080125491-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Cell Death-Related Disorders ARENA PHARMACEUTICALS, INC. (US) 2008-05-29 — — US disclosed
US-20080125491-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Cell Death-Related Disorders ARENA PHARMACEUTICALS, INC. (US) 2008-05-29 — — US disclosed
US-20080125491-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Cell Death-Related Disorders ARENA PHARMACEUTICALS, INC. (US) 2008-05-29 — — 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-20080125491-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Cell Death-Related Disorders GPR65, GPR3, GPR52 CYP3A4 4826/4885LMNA 1175/4885PDE4D 521/4885

“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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