SCHEMBL3454650

SCHEMBL3454650

C=C(C)C(=O)OC(OC(C)C1C2CC3CC(C2)CC1C3)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.31
TSHR P16473 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
SCHEMBL5001409 0.85 TSHR (0.35) EPHX1TSHR
SCHEMBL3456592 0.79 HSD11B1 (0.32) TSHR
SCHEMBL3455021 0.76 HSD11B1 (0.33) TSHR
Adamantane SCHEMBL12803307 0.76 TSHR (0.41) EPHX1TSHR
SCHEMBL3454443 0.75 ALDH1A1 (0.36) EPHX1TSHR
SCHEMBL27777230 0.74 ALDH1A1 (0.36) EPHX1TSHR
SCHEMBL3454653 0.74 HSD11B1 (0.32) TSHR
SCHEMBL8489896 0.72 ALDH1A1 (0.31) TSHR
SCHEMBL12013176 0.72 TSHR (0.41) TSHR
SCHEMBL3415846 0.72 ALDH1A1 (0.33) EPHX1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420290-B2 Acetal compounds and their preparation, polymers, resist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD (JP) 2013-04-16 US disclosed
US-20100136485-A1 ACETAL COMPOUNDS AND THEIR PREPARATION, POLYMERS, RESIST COMPOSITIONS AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-06-03 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 (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-20100136485-A1 ACETAL COMPOUNDS AND THEIR PREPARATION, POLYMERS, RESIST COMPOSITIONS AND PATTERNING PROCESS C9, ARF1, C1R EPHX1 711/4885TSHR 3357/4885

“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.