SCHEMBL10120459

SCHEMBL10120459

CCC(C)C(=O)OCC1CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.36
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
LMNA P02545 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
PSMB5 P28074 1/20 0.34
PTGIR P43119 2/20 0.33
ACACB O00763 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32

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
SCHEMBL21401139 0.93 EPHX2 (0.33) EPHX2SLC1A3SLC1A2SLC1A1LMNA
SCHEMBL16480370 0.93 SHBG (0.38) EPHX2SLC1A3SLC1A2SLC1A1LMNA
SCHEMBL21671136 0.90 LMNA (0.47) EPHX2SLC1A3SLC1A2SLC1A1LMNA
SCHEMBL1627515 0.90 LMNA (0.47) EPHX2SLC1A3SLC1A2SLC1A1LMNA
SCHEMBL25501313 0.87 ALDH1A1 (0.46) EPHX2
SCHEMBL25501323 0.87 TSHR (0.43) EPHX2
SCHEMBL19420374 0.85 ALDH1A1 (0.35) EPHX2PSMB5
SCHEMBL19766286 0.84 SCN9A (0.32) EPHX2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13568033 0.82 CYP3A4 (0.34) CHRM4CHRM5CHRM1CHRM3PSMB5
SCHEMBL6123989 0.82 PPM1B (0.36) EPHX2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994538-B2 Latent acids and their use BASF SE (DE) 2018-06-12 US disclosed
US-20180009775-A1 LATENT ACIDS AND THEIR USE BASF SE (DE) 2018-01-11 US disclosed
US-8415419-B2 Hydrophilic coating composition and hydrophilic member using the same FUJIFILM CORPORATION (JP) 2013-04-09 US disclosed
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
US-20100243221-A1 HYDROPHILIC COATING COMPOSITION AND HYDROPHILIC MEMBER USING THE SAME FUJIFILM CORPORATION (JP) 2010-09-30 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 (2 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-20180009775-A1 LATENT ACIDS AND THEIR USE LTA, C1S, C9 EPHX2 512/4885SLC1A3 841/4885SLC1A2 312/4885
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R EPHX2 851/4885SLC1A3 2074/4885SLC1A2 1669/4885

“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.