SCHEMBL2108370

SCHEMBL2108370

C=CCC(O)CCOc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
ALDH1A1 P00352 2/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KCNA3 P22001 1/20 0.45
LMNA P02545 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA7 P36544 2/20 0.40
CHRNA4 P43681 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL9684461 0.89 KCNA3 (0.50) THRBALDH1A1RECQLKDM4EMEN1
SCHEMBL1811045 0.82 LMNA (0.53) RECQLKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9419530 0.82 THRB (0.46) THRBALDH1A1RECQLKDM4EMEN1
SCHEMBL1138904 0.80 ALDH1A1 (0.50) THRBALDH1A1RECQLMEN1KMT2A
SCHEMBL3947804 0.80 ALDH1A1 (0.50) THRBALDH1A1RECQLMEN1KMT2A
SCHEMBL1139528 0.80 ALDH1A1 (0.50) THRBALDH1A1RECQLMEN1KMT2A
SCHEMBL10903529 0.79 THRB (0.50) THRBALDH1A1RECQLKDM4EMEN1
SCHEMBL18415157 0.79 THRB (0.49) THRBALDH1A1RECQLKDM4EMEN1
SCHEMBL14445477 0.78 ALDH1A1 (0.57) ALDH1A1RECQLMEN1KMT2AKCNA3
SCHEMBL9763095 0.78 KCNA3 (0.58) ALDH1A1RECQLKCNA3LMNATAAR1

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 6 patents. 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
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-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 disclosed
US-4973764-A USING ACID CATALYST EXXON RESEARCH AND ENGINEERING COMPANY (US) 1990-11-27 US disclosed
US-4914246-A REACTING PHENOL AND LINEAR OLEFINS USING ACID CATALYST EXXON RESEARCH & ENGINEERING COMPANY (US) 1990-04-03 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 THRB 1250/4885ALDH1A1 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.