SCHEMBL1811046

SCHEMBL1811046

C=CCC(CO)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
LTA4H P09960 1/20 0.33
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
MMP9 P14780 1/20 0.33
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL1778182 0.88 CYP2C19 (0.41) CYP2C19ALDH1A1SMN1; SMN2THRBKDM4E
SCHEMBL2108376 0.86 CYP2C19 (0.39) CYP2C19ALDH1A1RECQLSMN1; SMN2THRB
SCHEMBL1847856 0.82 ALDH1A1 (0.44) ALDH1A1RECQLKDM4EMTNR1AMTNR1B
SCHEMBL27722724 0.81 CYP2C19 (0.37) CYP2C19ALDH1A1SMN1; SMN2THRBKDM4E
SCHEMBL11115583 0.81 CYP2C19 (0.45) CYP2C19SMN1; SMN2THRBKDM4EMEN1
SCHEMBL8761681 0.80 ALDH1A1 (0.41) CYP2C19ALDH1A1RECQLSMN1; SMN2THRB
SCHEMBL8961806 0.80 CYP2C19 (0.36) CYP2C19ALDH1A1SMN1; SMN2THRBKDM4E
Hydrogen Sulfide SCHEMBL28172430 0.80 KMT2A (0.37) CYP2C19ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL10514058 0.80 CYP2C19 (0.40) CYP2C19ALDH1A1SMN1; SMN2THRBKDM4E
SCHEMBL1684306 0.79 CYP2C19 (0.35) CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158088-B2 Extractant compositions for co-extracting cesium and strontium, a method of separating cesium and strontium from an aqueous feed, and calixarene compounds BATTELLE ENERGY ALLIANCE, LLC (US) 2012-04-17 US claimed
US-20100116749-A1 EXTRACTANT COMPOSITIONS FOR CO EXTRACTING CESIUM AND STRONTIUM, A METHOD OF SEPARATING CESIUM AND STRONTIUM FROM AN AQUEOUS FEED, CALIXARENE COMPOUNDS, AND AN ALCOHOL MODIFIER UT-BATTELLE, LLC 2010-05-13 US claimed
CN-101028266-B Lung medicine-feeding preparation containing Mulinong LUNAN PHARM GROUP CORP 2010-05-12 CN claimed
CN-101028266-A Lung medicine-feeding preparation containing Mulinong LUNAN PHARMACEUTICAL GROUP CO (CN) 2007-09-05 CN claimed
EP-0774957-B1 AQUEOUS FOAMABLE COMPOSITION TILLOTTS PHARMA AG (CH) 2001-10-31 EP claimed
CN-1158565-A aqueous foam composition TILLOTTS PHARMA AG (CH) 1997-09-03 CN claimed
US-4328279-A OF THERMOPLASTIC FIBERS, SODIUM DIOCTYL SULFOSUCCINATE AND NONIONI KIMBERLY-CLARK CORPORATION (US) 1982-05-04 US claimed
EP-2077745-B1 DISPOSABLE WIPE WITH SUBSTANCE-FILLED BLISTERS KIMBERLY CLARK CO (US) 2015-03-04 EP disclosed
WO-2014208093-A1 MOISTURIZING-RELATED GENE EXPRESSION PROMOTING AGENT RELATED TO IMPROVING SKIN MOISTURIZING FUNCTION KEWPIE CORPORATION (JP) 2014-12-31 WO disclosed
EP-1919344-B1 FLUID APPLICATOR WITH A PULL TAB ACTIVATED POUCH KIMBERLY CLARK CO (US) 2013-11-06 EP disclosed
EP-1084226-B2 SORBENT MATERIAL KIMBERLY CLARK CO (US) 2013-07-24 EP disclosed
US-8158088-B2 Extractant compositions for co-extracting cesium and strontium, a method of separating cesium and strontium from an aqueous feed, and calixarene compounds BATTELLE ENERGY ALLIANCE, LLC (US) 2012-04-17 US disclosed
US-8066444-B2 Disposable wipe with substance-filled blisters KIMBERLY-CLARK WORLDWIDE, INC. (US) 2011-11-29 US disclosed
US-4588680-A Assay for viruses MOUNT SINAI SCHOOL OF MEDICINE OF THE CITY UNIVERSITY OF NEW YORK (US) 1986-05-13 US disclosed
EP-0084531-A4 ASSAY FOR VIRUSES. SINAI SCHOOL MEDICINE (US) 1983-12-19 EP disclosed
EP-0084531-A1 ASSAY FOR VIRUSES. SINAI SCHOOL MEDICINE (US) 1983-08-03 EP disclosed
WO-1983000505-A1 ASSAY FOR VIRUSES BUCHER, DORIS, J. 1983-02-17 WO disclosed
US-4328279-A OF THERMOPLASTIC FIBERS, SODIUM DIOCTYL SULFOSUCCINATE AND NONIONI KIMBERLY-CLARK CORPORATION (US) 1982-05-04 US disclosed
US-4328279-A OF THERMOPLASTIC FIBERS, SODIUM DIOCTYL SULFOSUCCINATE AND NONIONI KIMBERLY-CLARK CORPORATION (US) 1982-05-04 US disclosed
US-4250165-A ALKYL PHENOXY POLYETHOXY ETHANOL THE CLOROX COMPANY (US) 1981-02-10 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-20100116749-A1 EXTRACTANT COMPOSITIONS FOR CO EXTRACTING CESIUM AND STRONTIUM, A METHOD OF SEPARATING CESIUM AND STRONTIUM FROM AN AQUEOUS FEED, CALIXARENE COMPOUNDS, AND AN ALCOHOL MODIFIER CANX, CBX6, CALD1 CYP2C19 1319/4885ALDH1A1 1051/4885RECQL 4123/4885

“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.