SCHEMBL13626135

SCHEMBL13626135

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
TSHR P16473 2/20 0.33
AR P10275 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31

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
SCHEMBL14864462 0.86 KCNH2 (0.40) KCNH2TSHRARCHRM2CHRM4
SCHEMBL13010651 0.86 TSHR (0.34) KCNH2TSHRCHRM2CHRM4CHRM1
SCHEMBL20181067 0.85 KCNH2 (0.31) KCNH2
SCHEMBL23345639 0.83 KCNH2 (0.33) KCNH2TSHR
SCHEMBL10301878 0.82 KCNH2 (0.42) KCNH2TSHRARCHRM2CHRM4
Acetic Acid SCHEMBL28711688 0.78 KCNH2 (0.43) KCNH2TSHRARCHRM2CHRM4
SCHEMBL16254842 0.76 TSHR (0.45) KCNH2TSHRCHRM2CHRM4CHRM1
SCHEMBL19519994 0.75 KCNH2 (0.39) KCNH2TSHR
SCHEMBL23345519 0.75 KCNH2 (0.34) KCNH2
SCHEMBL14326415 0.72

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-10869828-B2 Cosmetic SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-12-22 US disclosed
US-20190201317-A1 COSMETIC SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-07-04 US disclosed
US-7615264-B2 Cellulose acylate film, polarizing plate, and liquid crystal display device FUJIFILM CORPORATION (JP) 2009-11-10 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-10869828-B2 Cosmetic ALG1, ALG3, MGAT1 KCNH2 1561/4885TSHR 2889/4885AR 1098/4885
US-20190201317-A1 COSMETIC ALG1, ALG3, MGAT1 KCNH2 1561/4885TSHR 2889/4885AR 1098/4885

“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.