SCHEMBL1641608

SCHEMBL1641608

CCc1cc(C)cc(C(=O)O)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 2/20 0.47
CXCL12 P48061 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CSNK2A1 P68400 1/20 0.47
KDM4E B2RXH2 2/20 0.46
PTPN1 P18031 5/20 0.43
PTPN2 P17706 2/20 0.43
PTPN6 P29350 2/20 0.43
AKR1C2 P52895 4/20 0.41
AKR1C1 Q04828 4/20 0.41
TTR P02766 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41

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
SCHEMBL14124080 0.88 HSD17B10 (0.61) HMGB1CXCL12ALDH1A1HPGDHSD17B10
SCHEMBL11774380 0.84 GABRP (0.48) HMGB1CXCL12ALDH1A1HPGDHSD17B10
SCHEMBL5029492 0.83 CSNK2A1 (0.58) HMGB1CXCL12ALDH1A1HPGDHSD17B10
SCHEMBL39260 0.82 ALDH1A1 (0.48) HMGB1CXCL12ALDH1A1HPGDHSD17B10
SCHEMBL9324615 0.81 KAT8 (0.50) MCL1
SCHEMBL334415 0.81 KAT8 (0.50) MCL1
SCHEMBL7781047 0.81 KAT8 (0.50) MCL1
SCHEMBL9500875 0.81 KAT8 (0.50) MCL1
SCHEMBL15375739 0.81 HMGB1 (0.48) HMGB1CXCL12ALDH1A1HPGDHSD17B10
SCHEMBL3965068 0.80 HSD17B10 (0.41) HMGB1CXCL12ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890351-B2 Encapsulates THE PROCTER & GAMBLE COMPANY (US) 2018-02-13 US disclosed
EP-2741731-B1 ENCAPSULATES PROCTER & GAMBLE (US) 2017-05-17 EP disclosed
US-8889614-B2 Encapsulates THE PROCTER & GAMBLE COMPANY (US) 2014-11-18 US disclosed
EP-2468239-B1 Encapsulates PROCTER & GAMBLE INTERNAT OPERATIONS SA (CH) 2013-09-18 EP disclosed
US-20130039962-A1 ENCAPSULATES ENCAPSYS, LLC 2013-02-14 US disclosed
EP-2468239-A1 Encapsulates Procter & Gamble International Operations SA (CH) 2012-06-27 EP disclosed
US-20120152268-A1 ENCAPSULATES PROCTER & GAMBLE COMPANY, THE 2012-06-21 US disclosed
US-20110105378-A1 ENCAPSULATES SMETS JOHAN 2011-05-05 US disclosed
US-20110098209-A1 ENCAPSULATES SMETS JOHAN 2011-04-28 US disclosed
US-20100190674-A1 ENCAPSULATES PROCTER & GAMBLE COMPANY, THE 2010-07-29 US disclosed
US-20100190673-A1 ENCAPSULATES THE PROCTER & GAMBLE COMPANY 2010-07-29 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 (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-20130039962-A1 ENCAPSULATES ABCB4, PPIB, FLNB HMGB1 682/4885CXCL12 3039/4885ALDH1A1 696/4885

“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.