SCHEMBL2989705

SCHEMBL2989705

CC(C)c1ccc2c(c1)CCC1C(C)(C(N)=O)CCCC21C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 1.00
▸ LMNA P02545 1/20 1.00
▸ KARS1 Q15046 4/20 0.81
▸ RXRA P19793 1/20 0.81
▸ CCNE1 P24864 1/20 0.81
▸ CDK2 P24941 1/20 0.81
▸ RXRB P28702 1/20 0.81
▸ RXRG P48443 1/20 0.81
▸ MEN1 O00255 3/20 0.65
▸ KMT2A Q03164 3/20 0.65
▸ TSHR P16473 2/20 0.65
▸ CYP2D6 P10635 2/20 0.65
▸ CYP2C19 P33261 2/20 0.65
▸ PDK1 Q15118 1/20 0.65
▸ PDK2 Q15119 1/20 0.65
▸ PDK3 Q15120 1/20 0.65
▸ PDK4 Q16654 1/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ MAPK1 P28482 2/20 0.64
▸ TP53 P04637 1/20 0.64

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
SCHEMBL3462324 1.00 CYP3A4 (1.00) CYP3A4LMNAKARS1RXRACCNE1
SCHEMBL14479889 1.00 CYP3A4 (1.00) CYP3A4LMNAKARS1RXRACCNE1
SCHEMBL30383762 1.00 CYP3A4 (1.00) CYP3A4LMNAKARS1RXRACCNE1
Dehydroabietic Acid SCHEMBL7939559 0.90 CYP3A4 (0.82) CYP3A4LMNAKARS1RXRACCNE1
Dehydroabietic Acid SCHEMBL18019015 0.90 KARS1 (1.00) CYP3A4LMNAKARS1RXRACCNE1
Dehydroabietic Acid SCHEMBL15744753 0.90 KARS1 (1.00) CYP3A4LMNAKARS1RXRACCNE1
Dehydroabietic Acid SCHEMBL14653170 0.90 KARS1 (1.00) CYP3A4LMNAKARS1RXRACCNE1
Dehydroabietic Acid SCHEMBL2603437 0.90 KARS1 (1.00) CYP3A4LMNAKARS1RXRACCNE1
Dehydroabietic Acid SCHEMBL15313390 0.90 KARS1 (1.00) CYP3A4LMNAKARS1RXRACCNE1
Dehydroabietic Acid SCHEMBL19798161 0.90 KARS1 (1.00) CYP3A4LMNAKARS1RXRACCNE1

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 7 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
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-20040102488-A1 Butenolide and pentenolide derivatives as kinase inhibitors MORPHOCHEM AG (DE) 2004-05-27 — — 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 (3 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-20040102488-A1 Butenolide and pentenolide derivatives as kinase inhibitors MAP3K20, MAP3K21, MAP3K1 CYP3A4 1647/4885LMNA 791/4885KARS1 4346/4885
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 1175/4885KARS1 4363/4885
US-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 CYP3A4 4800/4885LMNA 3559/4885KARS1 1749/4885

“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.

Send feedback