SCHEMBL6407631

SCHEMBL6407631

CC(=O)ON1C(C)(C)CC(OCC(O)CCO)CC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.37
ESR1 P03372 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.34
GAA P10253 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
SCHEMBL987393 0.84 TSHR (0.45) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL987130 0.73 TSHR (0.50) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL987544 0.72 TSHR (0.55) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL1138567 0.72 KMT2A (0.63) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL4325339 0.72 TSHR (0.55) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL12921994 0.71 TSHR (0.61) TSHRKMT2AALDH1A1ESR1HSD17B10
Bicarbonate SCHEMBL3798404 0.70 KMT2A (0.34) TSHRKMT2AALDH1A1ESR1HSD17B10
Glycolic Acid SCHEMBL3797479 0.70 KMT2A (0.33) TSHRKMT2AMEN1
SCHEMBL16013474 0.70 TSHR (0.40) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL9440230 0.70 TSHR (0.57) TSHRKMT2AALDH1A1ESR1HSD17B10

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
US-20050220727-A1 Stabilized body care products, household products, textiles and fabrics CIBA CORPORATION 2005-10-06 US claimed
EP-2699727-B1 METHOD OF DYEING POLYESTER HUNTSMAN ADV MAT SWITZERLAND (CH) 2014-11-19 EP disclosed
EP-2699727-A1 METHOD OF DYEING POLYESTER Huntsman Advanced Materials (Switzerland) GmbH (CH) 2014-02-26 EP disclosed
US-20140041134-A1 Method of Dyeing Polyester HUNTSMAN INTERNATIONAL LLC (US) 2014-02-13 US disclosed
WO-2012143167-A1 METHOD OF DYEING POLYESTER HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2012-10-26 WO 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-20050220727-A1 Stabilized body care products, household products, textiles and fabrics CUTA, DHRS9, DSC1 TSHR 1597/4885KMT2A 789/4885ALDH1A1 816/4885

“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.