SCHEMBL866953

SCHEMBL866953

C=C(OCC)C(=O)OCCOCCOC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.52
ALDH1A1 P00352 8/20 0.39
TSHR P16473 7/20 0.39
GAA P10253 2/20 0.38
RAB9A P51151 1/20 0.38
ABCB11 O95342 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADRA2B P18089 1/20 0.35
OPRD1 P41143 1/20 0.35
SCN5A Q14524 1/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
ADORA2A P29274 1/20 0.31
SOAT1 P35610 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
SCHEMBL23361653 0.93 THRB (0.47) THRBALDH1A1TSHRGAARAB9A
SCHEMBL130079 0.86 THRB (0.68) THRBALDH1A1TSHRGAATP53
SCHEMBL1170739 0.86 ALDH1A1 (0.44) THRBALDH1A1TSHRGAARAB9A
SCHEMBL56948 0.85 THRB (0.52) THRBALDH1A1TSHRGAATP53
SCHEMBL1506942 0.85 THRB (0.52) THRBALDH1A1TSHRGAATP53
SCHEMBL27790875 0.85 THRB (0.46) THRBALDH1A1TSHRGAARAB9A
SCHEMBL27721014 0.81 THRB (0.41) THRBALDH1A1TSHRGAARAB9A
SCHEMBL27721017 0.81 THRB (0.41) THRBALDH1A1TSHRGAARAB9A
SCHEMBL27907881 0.81 THRB (0.41) THRBALDH1A1TSHRGAARAB9A
SCHEMBL28402675 0.81 THRB (0.60) THRBALDH1A1TSHRGAATP53

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
EP-3449904-B1 EMULSIFIED COSMETIC SHINETSU CHEMICAL CO (JP) 2024-06-19 EP claimed
EP-3449904-B1 EMULSIFIED COSMETIC SHINETSU CHEMICAL CO (JP) 2024-06-19 EP disclosed
US-11351107-B2 Emulsified cosmetic SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-06-07 US disclosed
US-20190015318-A1 EMULSIFIED COSMETIC SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-01-17 US disclosed
US-20120074352-A1 WETTABLE HYDROGEL CONTACT LENS AND METHOD FOR PRODUCING SAME SEED CO., LTD. (JP) 2012-03-29 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-11351107-B2 Emulsified cosmetic FASN, DEGS1, CUTA THRB 4107/4885ALDH1A1 1732/4885TSHR 3501/4885
US-20190015318-A1 EMULSIFIED COSMETIC FASN, DEGS1, CUTA THRB 4107/4885ALDH1A1 1732/4885TSHR 3501/4885

“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.