SCHEMBL4197073

SCHEMBL4197073

NCCNCCCC1([SiH3])CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.35
CA6 P23280 4/20 0.35
CA7 P43166 4/20 0.35
CA9 Q16790 4/20 0.35
CA14 Q9ULX7 4/20 0.35
CA5B Q9Y2D0 4/20 0.35
CA2 P00918 3/20 0.35
CA4 P22748 3/20 0.35
CA5A P35218 3/20 0.35
CA3 P07451 2/20 0.35
MEN1 O00255 2/20 0.33
RECQL P46063 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALOX15 P16050 2/20 0.32
CA1 P00915 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL9936427 0.95 CA12 (0.34) CA12CA6CA7CA9CA14
SCHEMBL1069722 0.84
SCHEMBL8363352 0.84
SCHEMBL29042551 0.83 CYP2C19 (0.34) MEN1KMT2ACYP1A2CYP2C19
SCHEMBL218481 0.83
SCHEMBL28806409 0.82
SCHEMBL1083043 0.82 CPB2 (0.31)
SCHEMBL8361287 0.81 TDP1 (0.39) TDP1KDM4ECYP2C19
SCHEMBL10884912 0.81 CPB2 (0.33)
SCHEMBL1369555 0.80

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180200177-A1 STRAIGHTENING AGENT CONTAINING A POLYMER COMBINATION OF POLYURETHANES AND AMODIMETHICONES HENKEL AG & CO. KGAA (DE) 2018-07-19 US claimed
EP-3177367-A1 STRAIGHTENING AGENT CONTAINING A POLYMER COMBINATION OF POLYURETHANES AND AMODIMETHICONES Henkel AG & Co. KGaA (DE) 2017-06-14 EP claimed
WO-2016020108-A1 STRAIGHTENING AGENT CONTAINING A POLYMER COMBINATION OF POLYURETHANES AND AMODIMETHICONES HENKEL AG & CO. KGAA (DE) 2016-02-11 WO claimed
CN-111148824-B Polymeric thickeners for iridescent liquid hand soap compositions 路博润先进材料公司 2021-11-05 CN disclosed
CN-112218612-A Hair modification compositions and methods 路博润先进材料公司 2021-01-12 CN disclosed
CN-112118827-A Foaming cleanser composition containing nonpolar oil and amphiphilic polymer 路博润先进材料公司 2020-12-22 CN disclosed
CN-111417372-A Alkali-swellable multifunctional rheology modifier 诺力昂化学品国际有限公司 2020-07-14 CN disclosed
CN-111148824-A Polymeric thickeners for iridescent liquid hand soap compositions 路博润先进材料公司 2020-05-12 CN disclosed
CN-109097999-A A kind of aminophenyl silicone oil/graphene fabric and preparation method 长乐佳纶纺织实业有限公司 2018-12-28 CN disclosed
US-20180200177-A1 STRAIGHTENING AGENT CONTAINING A POLYMER COMBINATION OF POLYURETHANES AND AMODIMETHICONES HENKEL AG & CO. KGAA (DE) 2018-07-19 US disclosed
EP-3177367-A1 STRAIGHTENING AGENT CONTAINING A POLYMER COMBINATION OF POLYURETHANES AND AMODIMETHICONES Henkel AG & Co. KGaA (DE) 2017-06-14 EP disclosed
US-7235186-B2 Organosilicon compounds comprising cyclodextrin radicals WACKER CHEMIE AG (DE) 2007-06-26 US disclosed
US-7083986-B2 Near infrared chemiluminescent acridinium compounds and uses thereof BAYER HEALTHCARE LLC (US) 2006-08-01 US disclosed
US-20060009592-A1 Organosilicon compounds comprising cyclodextrin radicals WACKER-CHEMIE GMBH (DE) 2006-01-12 US disclosed
US-20040115379-A1 Method of treating an elastomeric article KIMBERLY-CLARK WORLDWIDE, INC. 2004-06-17 US disclosed
US-20020076823-A1 Near infrared chemiluminescent acridinium compounds and uses thereof BAYER CORPORATION (US) 2002-06-20 US disclosed
US-6355803-B1 COMPOUND COMPRISING EXTENDED, COPLANAR, CONJUGATED SYSTEM, FORMED BY ATTACHMENT OF FUNCTIONAL GROUP COMPRISING AROMATIC RING AND ELECTRON-DONATING GROUP ON ACRIDINIUM NUCLEUS, WHICH MAINTAINS COPLANARITY DURING LIGHT EMISSION BAYER CORPORATION 2002-03-12 US disclosed
EP-1104405-A1 NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF Bayer Corporation (US) 2001-06-06 EP disclosed
WO-2000009487-A9 NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF BAYER AG (US) 2000-06-22 WO disclosed
WO-2000009487-A1 NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF BAYER CORPORATION (US) 2000-02-24 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-20180200177-A1 STRAIGHTENING AGENT CONTAINING A POLYMER COMBINATION OF POLYURETHANES AND AMODIMETHICONES KRT18, PCNA, SMCHD1 CA12 2478/4885CA6 3907/4885CA7 2509/4885

“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.