SCHEMBL3659586

SCHEMBL3659586

CCC(C)(CC)C(=O)C(C)(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 2/20 0.33
FFAR3 O14843 1/20 0.33
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL13701449 0.87 TDP1 (0.33) TSHRTDP1CYP2D6CYP2C19HIF1A
SCHEMBL240164 0.82 ALDH1A1 (0.37) TSHRTDP1CYP2D6CYP2C19HIF1A
SCHEMBL28408694 0.78 MMP8 (0.37) TDP1CYP2C19ALDH1A1
SCHEMBL276567 0.76
SCHEMBL35107 0.76
SCHEMBL184957 0.76
SCHEMBL20724932 0.76 ALDH1A1 (0.30) TSHRALDH1A1
SCHEMBL8744855 0.74
SCHEMBL4558912 0.73 TDP1 (0.37) TSHRTDP1CYP2D6CYP2C19HIF1A
SCHEMBL14123565 0.73 FAAH (0.33) TSHRTDP1CYP2D6CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206180-A1 PREPARATION PROCESS FOR PREVENTING DEFORMATION OF JELLY-ROLL TYPE ELECTRODE ASSEMBLY LG Chem. Ltd. (KR) 2010-07-14 EP claimed
WO-2009048263-A1 PREPARATION PROCESS FOR PREVENTING DEFORMATION OF JELLY-ROLL TYPE ELECTRODE ASSEMBLY LG CHEM, LTD. (KR) 2009-04-16 WO claimed
US-20230295203-A1 METAL ORGANIC COMPOUNDS UMICORE AG & CO. KG (DE) 2023-09-21 US disclosed
EP-4126889-A1 METAL ORGANIC COMPOUNDS Umicore AG & Co. KG (DE) 2023-02-08 EP disclosed
CN-115315428-A Metal organic compound 优美科股份公司及两合公司 2022-11-08 CN disclosed
WO-2021197597-A1 METAL ORGANIC COMPOUNDS UMICORE AG & CO. KG (DE) 2021-10-07 WO disclosed
US-4975280-A DRUG DISPERSED IN A POLY(AMINO ACID ESTER)PHOSPHAZINE MATRIX ETHYL CORPORATION (US) 1990-12-04 US disclosed
EP-0198870-A1 HERBICIDAL COMPOSITIONS FOR KILLING MONOCOTYLEDONOUS AND DICOTYLEDONOUS WEEDS IN MAIZE. NITROKEMIA IPARTELEPEK (HU) 1986-10-29 EP disclosed
WO-1986002237-A1 HERBICIDAL COMPOSITIONS FOR KILLING MONOCOTYLEDONOUS AND DICOTYLEDONOUS WEEDS IN MAIZE NITROKÉMIA IPARTELEPEK (HU) 1986-04-24 WO 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-20230295203-A1 METAL ORGANIC COMPOUNDS SCO2, MLX, PYM1 TSHR 4643/4885TDP1 3888/4885CYP2D6 532/4885

“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.