SCHEMBL6448880

SCHEMBL6448880

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

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
CYP2C9 P11712 1/20 0.31
HSD11B1 P28845 1/20 0.31
EPHX1 P07099 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
SCHEMBL28424772 0.79 HSD11B1 (0.38) HSD11B1
SCHEMBL6840624 0.78 EPHX2 (0.46) EPHX2HSD11B1EPHX1
SCHEMBL15910889 0.78 EPHX2 (0.42) EPHX2CYP2C9HSD11B1EPHX1
SCHEMBL365664 0.76 EPHX2 (0.38) EPHX2HSD11B1EPHX1
SCHEMBL6732366 0.76 ATM (0.36) EPHX2
SCHEMBL15470614 0.74 EPHX2 (0.39) EPHX2HSD11B1EPHX1
SCHEMBL672581 0.72 THRB (0.35)
SCHEMBL13144964 0.71 EPHX2 (0.37) EPHX2HSD11B1EPHX1
SCHEMBL20505567 0.69 ALDH1A1 (0.31)
SCHEMBL9610295 0.69 THRA (0.33) EPHX1

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-6872846-B2 Process for preparation of tertiary alcohol esters DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-29 US disclosed
US-20040015006-A1 Efficient one pot process DAICEL CHEMICAL INDUSTRIAL, LTD. (JP) 2004-01-22 US disclosed
EP-1344762-A1 PROCESS FOR PREPARATION OF TERTIARY ALCOHOL ESTERS Daicel Chemical Industries, Ltd. (JP) 2003-09-17 EP 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-20040015006-A1 Efficient one pot process ADH1A, ADH1C, ADH5 EPHX2 681/4885CYP2C9 487/4885HSD11B1 75/4885

“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.