SCHEMBL229755

SCHEMBL229755

Cc1cc(C(C)(C)C)ccc1OCC=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
NPSR1 Q6W5P4 2/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
VDR P11473 2/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C19 P33261 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ESR1 P03372 2/20 0.38
TUBB1 Q9H4B7 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL19628270 0.83 MAPT (0.47) KDM4ENPSR1MAPTMAPK1SMN1; SMN2
SCHEMBL2553310 0.80 L3MBTL1 (0.45) KDM4EMAPTMAPK1MRGPRX4RECQL
SCHEMBL11436470 0.78 KDM4E (0.62) KDM4ENPSR1MAPTMAPK1MRGPRX4
SCHEMBL814457 0.78 KDM4E (0.72) KDM4ENPSR1MAPTMAPK1MRGPRX4
SCHEMBL15076938 0.77 ESR1 (0.61) VDRESR1
SCHEMBL5000471 0.77 KDM4E (0.48) KDM4ENPSR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL10144037 0.77 KDM4E (0.50) KDM4ENPSR1MAPTMAPK1MRGPRX4
SCHEMBL29863189 0.77 MRGPRX4 (0.47) MAPTMRGPRX4ALDH1A1LMNAHTT
SCHEMBL29863367 0.77 KDM4E (0.50) KDM4ENPSR1MAPTMAPK1MRGPRX4
SCHEMBL15888477 0.77 KDM4E (0.47) KDM4ENPSR1MAPTMAPK1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649183-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
EP-3649184-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
WO-2019010263-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO claimed
WO-2019010265-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO claimed
US-20190010293-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
US-20190010427-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
EP-2408889-B1 DETERGENT, CLEANING AGENT, AFTERTREATMENT AGENT, OR WASHING AID CONTAINING ALDEHYDES AND HAVING AN ANTIBACTERIAL EFFECT HENKEL AG & CO KGAA (DE) 2012-12-26 EP claimed
US-20120003326-A1 DETERGENT, CLEANING AGENT, AFTERTREATMENT AGENT, OR WASHING AID CONTAINING ALDEHYDES AND HAVING AN ANTIBACTERIAL EFFECT HENKEL AG & CO. KGAA (DE) 2012-01-05 US claimed
EP-3649184-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP disclosed
EP-3649183-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP disclosed
WO-2019010263-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO disclosed
WO-2019010265-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO disclosed
US-20190010293-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US disclosed
US-20190010427-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US disclosed
EP-2408889-B1 DETERGENT, CLEANING AGENT, AFTERTREATMENT AGENT, OR WASHING AID CONTAINING ALDEHYDES AND HAVING AN ANTIBACTERIAL EFFECT HENKEL AG & CO KGAA (DE) 2012-12-26 EP disclosed
US-20120003326-A1 DETERGENT, CLEANING AGENT, AFTERTREATMENT AGENT, OR WASHING AID CONTAINING ALDEHYDES AND HAVING AN ANTIBACTERIAL EFFECT HENKEL AG & CO. KGAA (DE) 2012-01-05 US disclosed
WO-2010105949-A1 DETERGENT, CLEANING AGENT, AFTERTREATMENT AGENT, OR WASHING AID CONTAINING ALDEHYDES AND HAVING AN ANTIBACTERIAL EFFECT HENKEL AG & CO. KGAA (DE) 2010-09-23 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-20120003326-A1 DETERGENT, CLEANING AGENT, AFTERTREATMENT AGENT, OR WASHING AID CONTAINING ALDEHYDES AND HAVING AN ANTIBACTERIAL EFFECT CAT, GPX4, WASHC4 KDM4E 3208/4885NPSR1 4822/4885MAPT 4025/4885

“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.