SCHEMBL20355121

SCHEMBL20355121

CCCCOC(=O)C1(C(=O)OC(C)(C)C)CC1CC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.34
TSHR P16473 2/20 0.33
HPGD P15428 1/20 0.33
HCAR2 Q8TDS4 1/20 0.31
EPHX2 P34913 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NAAA Q02083 1/20 0.30
ESR1 P03372 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
SCHEMBL375254 0.86 CYP4F2 (0.33) EPHX2
SCHEMBL15928495 0.81 SMN1; SMN2 (0.37) ALDH1A1TSHREPHX2SMN1; SMN2TDP1
SCHEMBL3292857 0.79
SCHEMBL375134 0.79 CYP4F2 (0.31)
SCHEMBL3643307 0.79 CYP4F2 (0.31)
SCHEMBL1635539 0.79 CYP4F2 (0.31)
SCHEMBL20348813 0.79 CYP4F2 (0.33)
SCHEMBL15928651 0.75 SMN1; SMN2 (0.34) EPHX2SMN1; SMN2
SCHEMBL16065462 0.73 MEN1 (0.31)
SCHEMBL11179315 0.72 ALDH1A1 (0.37) ALDH1A1ATMLMNAPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793540-B2 Method for producing fluorine-containing cyclopropane carboxylic acid compound CENTRAL GLASS COMPANY, LIMITED (JP) 2020-10-06 US disclosed
US-10450291-B2 Method for producing fluorine-containing cyclopropane carboxylic acid compound CENTRAL GLASS COMPANY, LIMITED (JP) 2019-10-22 US disclosed
US-20180186763-A1 Method for Producing Fluorine-Containing Cyclopropane Carboxylic Acid Compound CENTRAL GLASS COMPANY, LIMITED (JP) 2018-07-05 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-10793540-B2 Method for producing fluorine-containing cyclopropane carboxylic acid compound PFAS, FDPS, CYP2F1 ALDH1A1 996/4885ATM 4621/4885TSHR 1142/4885
US-20180186763-A1 Method for Producing Fluorine-Containing Cyclopropane Carboxylic Acid Compound PFAS, FDPS, FIBP ALDH1A1 1093/4885ATM 4574/4885TSHR 1005/4885
US-10450291-B2 Method for producing fluorine-containing cyclopropane carboxylic acid compound PFAS, FDPS, FIBP ALDH1A1 1093/4885ATM 4574/4885TSHR 1005/4885

“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.