SCHEMBL253116

SCHEMBL253116

CC(C)(C)CC(O)(CC(C)(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
TET2 Q6N021 1/20 0.36
POLB P06746 1/20 0.33
SLC13A5 Q86YT5 2/20 0.32
GGT1 P19440 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
SCHEMBL14280075 0.85 ALDH1A1 (0.64) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL3411650 0.77 TSHR (0.47) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL27415630 0.74 HMGCR (0.32) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL20780743 0.74 TSHR (0.38) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL9419990 0.74 TSHR (0.40) ALDH1A1TSHRHMGCRCHRM1TBXA2R
Bicarbonate SCHEMBL26105671 0.74 TSHR (0.41) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL17376853 0.73 TSHR (0.42) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL85014 0.73 TSHR (0.42) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL1743650 0.73 TSHR (0.42) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL14831849 0.73 TSHR (0.42) ALDH1A1TSHRHMGCRCHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218116-A1 POLYOLEFIN MIMIC POLYESTER COPOLYMERS SABIC GLOBAL TECHNOLOGIES BV (NL) 2024-07-04 US disclosed
US-8481544-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-07-09 US disclosed
EP-2231653-B1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2013-04-03 EP disclosed
US-8389516-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-03-05 US disclosed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 US disclosed
EP-2034997-B1 ANTIBACTERIAL COMPOSITIONS BIOTA EUROPE LTD (GB) 2012-10-17 EP disclosed
US-20120004221-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2012-01-05 US disclosed
US-20110263590-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2011-10-27 US disclosed
US-7977340-B2 Antibacterial compositions PROLYSIS LTD. (GB) 2011-07-12 US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
EP-2231653-A1 ANTIBACTERIAL CONDENSED THIAZOLES Biota Europe Ltd (GB) 2010-09-29 EP disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
WO-2009074812-A1 ANTIBACTERIAL CONDENSED THIAZOLES PROLYSIS LTD (GB) 2009-06-18 WO disclosed
EP-2034997-A1 ANTIBACTERIAL COMPOSITIONS Prolysis Limited (GB) 2009-03-18 EP disclosed
WO-2007148093-A1 ANTIBACTERIAL COMPOSITIONS PROLYSIS LTD. (GB) 2007-12-27 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 (4 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-20120004221-A1 Antibacterial Compositions CYCS, COX6C, RPS6 ALDH1A1 2843/4885TSHR 523/4885HMGCR 1177/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 ALDH1A1 3469/4885TSHR 518/4885HMGCR 1960/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 ALDH1A1 2924/4885TSHR 541/4885HMGCR 1218/4885
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES NEK6, NEK1, TXK ALDH1A1 1461/4885TSHR 935/4885HMGCR 2215/4885

“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.