SCHEMBL4805192

SCHEMBL4805192

COC(=O)C(ON1C(C)(C)CC(OC(=O)C(C)(C)C)CC1(C)C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
KMT2A Q03164 4/20 0.42
CYP2D6 P10635 2/20 0.41
LMNA P02545 5/20 0.40
NR1I2 O75469 1/20 0.36
ABCB11 O95342 1/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2C9 P11712 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL3369033 0.80 KMT2A (0.45) TSHRKMT2ACYP2D6LMNANR1I2
SCHEMBL3363020 0.78 POLB (0.41) TSHRKMT2ACYP2D6LMNACYP3A4
SCHEMBL3367006 0.77 KMT2A (0.48) TSHRKMT2ACYP2D6LMNACYP3A4
SCHEMBL13412662 0.72 TSHR (0.48) TSHRKMT2ACYP2D6LMNANR1I2
SCHEMBL19937304 0.70 KMT2A (0.61) TSHRKMT2ACYP2D6LMNANR1I2
SCHEMBL13474844 0.70 KMT2A (0.61) TSHRKMT2ACYP2D6LMNANR1I2
SCHEMBL6813656 0.70 TSHR (0.68) TSHRKMT2ACYP2D6LMNAALDH1A1
SCHEMBL9550733 0.70 TSHR (0.48) TSHRKMT2ACYP2D6LMNACYP3A4
SCHEMBL1138712 0.69 TSHR (0.74) TSHRKMT2ALMNAALDH1A1HSD17B10
SCHEMBL1138561 0.69 TSHR (0.44) TSHRKMT2AALDH1A1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402675-B2 Process for the synthesis of amine ethers from secondary amino oxides CIBA SPECIALTY CHEMICALS CORP. (US) 2008-07-22 US disclosed
US-6900328-B2 Process for the synthesis of amine ethers from secondary amino oxides CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-05-31 US disclosed
US-20050043552-A1 Process for the synthesis of amine ethers from secondary amino oxides HAFNER ANDREAS (CH) 2005-02-24 US disclosed
US-20030171461-A1 Process for the synthesis of amine ethers from secondary amino oxides CIBA SPECIALTY CHEMICALS CORP. 2003-09-11 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-20050043552-A1 Process for the synthesis of amine ethers from secondary amino oxides CYC1, AOC2, CBR1 TSHR 831/4885KMT2A 1447/4885CYP2D6 72/4885
US-20030171461-A1 Process for the synthesis of amine ethers from secondary amino oxides IL4I1, HCCS, CBR1 TSHR 1905/4885KMT2A 1055/4885CYP2D6 983/4885

“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.