SCHEMBL524955

SCHEMBL524955

CCCOC(=O)c1ccccc1OCC(C)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
ADRB2 P07550 2/20 0.60
ADRB1 P08588 2/20 0.60
ADRB3 P13945 2/20 0.60
TSHR P16473 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ABCB1 P08183 4/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 2/20 0.48
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL28020070 0.90 ALDH1A1 (0.63) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL12909401 0.85 ALDH1A1 (0.74) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL11343733 0.85 ALDH1A1 (0.57) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL2949387 0.85 ALDH1A1 (0.73) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL1073658 0.83 ALDH1A1 (0.71) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL11329803 0.83 ADRB2 (0.49) ALDH1A1ADRB2ADRB1ADRB3TSHR
Bicarbonate SCHEMBL5184161 0.82 ALDH1A1 (0.69) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL27881214 0.82 TSHR (0.70) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL28214366 0.82 TSHR (0.65) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL28020522 0.81 ADRB2 (0.69) ALDH1A1ADRB2ADRB1ADRB3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160000067-A1 FORMULATIONS SYNGENTA LIMITED (GB) 2016-01-07 US claimed
US-9807999-B2 Formulations SYNGENTA LIMITED (GB) 2017-11-07 US disclosed
US-20160000067-A1 FORMULATIONS SYNGENTA LIMITED (GB) 2016-01-07 US disclosed
EP-2598472-B1 FORMULATIONS SYNGENTA LTD (GB) 2015-06-17 EP disclosed
EP-2598472-A2 FORMULATIONS Syngenta Limited (GB) 2013-06-05 EP disclosed
WO-2012014152-A2 FORMULATIONS SYNGENTA LIMITED (GB) 2012-02-02 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-20160000067-A1 FORMULATIONS PRMT1, PRMT5, PRMT3 ALDH1A1 1490/4885ADRB2 951/4885ADRB1 1009/4885

“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.