SCHEMBL1906579

SCHEMBL1906579

CCCCCCCCCCCCOCC(O)COc1cccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.35
USP2 O75604 1/20 0.35
HTT P42858 3/20 0.34
VDR P11473 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.32
PTPN11 Q06124 1/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
LTB4R Q15722 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32

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
SCHEMBL1905764 1.00 PLA2G4B (0.35) PLA2G4BUSP2HTTVDRLPAR5
SCHEMBL30842063 1.00 PLA2G4B (0.35) PLA2G4BUSP2HTTVDRLPAR5
SCHEMBL3922564 0.96 KDM4E (0.35) PLA2G4BHTTMEN1KMT2AALDH1A1
SCHEMBL31070664 0.89 IKBKB (0.36) PLA2G4BUSP2HTTVDRLPAR5
SCHEMBL7607965 0.89 PLA2G4B (0.36) PLA2G4BUSP2HTTLPAR5KMT2A
SCHEMBL4791409 0.88 MCHR1 (0.40) MEN1KMT2AMAPTLMNAPTPN11
SCHEMBL5602712 0.88 MCHR1 (0.40) MEN1KMT2AMAPTLMNAPTPN11
SCHEMBL31258167 0.88 MCHR1 (0.40) MEN1KMT2AMAPTLMNAPTPN11
SCHEMBL1424639 0.88 MCHR1 (0.40) MEN1KMT2AMAPTLMNAPTPN11
SCHEMBL4562629 0.87 PLA2G4B (0.35) PLA2G4BUSP2HTTVDRLPAR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10231909-B2 α-gel-intermediate composition, and production method for α-gel-containing O/W emulsion cosmetic using said composition SHISEIDO COMPANY, LTD. (JP) 2019-03-19 US disclosed
US-20170105909-A1 ALPHA-GEL-INTERMEDIATE COMPOSITION, AND PRODUCTION METHOD FOR ALPHA-GEL-CONTAINING O/W EMULSION COSMETIC USING SAID COMPOSITION SHISEIDO COMPANY, LTD. (JP) 2017-04-20 US disclosed
US-9539444-B2 Hair conditioning composition and low energy method of producing the same SHISEIDO COMPANY, LTD. (JP) 2017-01-10 US disclosed
EP-2316414-B1 HAIR CONDITIONER COMPOSITION SHISEIDO CO LTD (JP) 2016-03-30 EP disclosed
US-20110165110-A1 Hair Conditioning Composition And Low Energy Method Of Producing The Same SHISEIDO COMPANY, LTD. (JP) 2011-07-07 US disclosed
US-20110135587-A1 Hair Conditioning Composition SHISEIDO COMPANY, LTD. (JP) 2011-06-09 US disclosed
EP-2316414-A1 HAIR CONDITIONER COMPOSITION Shiseido Company, Ltd. (JP) 2011-05-04 EP disclosed
EP-1749037-A1 PERFLUORINATED ESTERS, POLYESTER, ETHERS AND CARBONATES Ciba SC Holding AG (CH) 2007-02-07 EP disclosed
WO-2005116099-A1 PERFLUORINATED ESTERS, POLYESTER, ETHERS AND CARBONATES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-12-08 WO disclosed
US-20040082492-A1 Biocidal plastics internal elements for mass transfer apparatus CIBA SPECIALTY CHEMICALS CORP. 2004-04-29 US disclosed
US-6557734-B2 Plastic lens systems, compositions, and methods Q2100, INC. 2003-05-06 US disclosed
US-20010048002-A1 Plastic lens systems, compositions, and methods OPTICAL DYNAMICS CORP. 2001-12-06 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 (2 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-20110135587-A1 Hair Conditioning Composition TRPC5, PLIN5, TRPV1 PLA2G4B 990/4885USP2 3737/4885HTT 2899/4885
US-20110165110-A1 Hair Conditioning Composition And Low Energy Method Of Producing The Same CUTA, POLR1C, TIMCC PLA2G4B 1976/4885USP2 3972/4885HTT 3280/4885

“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.