SCHEMBL2195745

SCHEMBL2195745

CCCC(C)NCCCO

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ADRB2 P07550 4/20 0.32
SIGMAR1 Q99720 1/20 0.32
ACHE P22303 3/20 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
SCHEMBL1619606 0.93 SMN1; SMN2 (0.40) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
SCHEMBL365957 0.89 ALDH1A1 (0.42) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
SCHEMBL1618292 0.87 SMN1; SMN2 (0.44) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
Water SCHEMBL7784665 0.87 ADRB2 (0.40) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
SCHEMBL5927856 0.86 ALDH1A1 (0.38) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
SCHEMBL5056954 0.86 ALDH1A1 (0.32) ALDH1A1LMNAHSD17B10SIGMAR1
SCHEMBL1619439 0.86
SCHEMBL7775148 0.85 TSHR (0.39) ALDH1A1TSHRADRB2SIGMAR1
SCHEMBL1619826 0.85 LMNA (0.46) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
SCHEMBL5052257 0.84 SMN1; SMN2 (0.32) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399409-B1 METHOD FOR PRODUCING (METH)ACRYLIC ACID ESTERS BASF SE (DE) 2012-10-31 EP claimed
CN-100349854-C Method for producing (meth) acrylic acid esters BASF AG (DE) 2007-11-21 CN claimed
US-7268251-B2 Method for producing (meth) acrylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2007-09-11 US claimed
US-7026503-B2 Method for producing (meth)acrylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2006-04-11 US claimed
EP-1399408-B1 METHOD FOR PRODUCING (METH)ACRYLIC ACID ESTERS BASF AG (DE) 2006-03-22 EP claimed
EP-3078409-B1 ACIDIC GAS ABSORBING AGENT, METHOD FOR REMOVING ACIDIC GAS AND APPARATUS FOR REMOVING ACIDIC GAS TOSHIBA KK (JP) 2019-01-09 EP disclosed
US-10174349-B2 Recombinant cell producing 2-hydroxyisobutyric acid EVONIK ROEHM GMBH (DE) 2019-01-08 US disclosed
CN-106039931-A Acidic gas absorbing agent, method for removing acidic gas and apparatus for removing acidic gas 株式会社东芝 2016-10-26 CN disclosed
US-20160296882-A1 ACIDIC GAS ABSORBING AGENT, METHOD FOR REMOVING ACIDIC GAS AND APPARATUS FOR REMOVING ACIDIC GAS KABUSHIKI KAISHA TOSHIBA (JP) 2016-10-13 US disclosed
EP-3078409-A1 ACIDIC GAS ABSORBING AGENT, METHOD FOR REMOVING ACIDIC GAS AND APPARATUS FOR REMOVING ACIDIC GAS Kabushiki Kaisha Toshiba (JP) 2016-10-12 EP disclosed
US-9409119-B2 Acid gas absorbent, acid gas removal method, and acid gas removal device KABUSHIKI KAISHA TOSHIBA (JP) 2016-08-09 US disclosed
EP-2705894-A1 Acid gas absorbent, acid gas removal method and acid gas removal device Kabushiki Kaisha Toshiba (JP) 2014-03-12 EP disclosed
US-20120161071-A1 ACID GAS ABSORBENT, ACID GAS REMOVAL METHOD, AND ACID GAS REMOVAL DEVICE KABUSHIKI KAISHA TOSHIBA (JP) 2012-06-28 US disclosed
EP-2468385-A2 Acid gas absorbent, acid gas removal method and acid gas removal device Kabushiki Kaisha Toshiba (JP) 2012-06-27 EP disclosed
US-8207371-B2 Process for preparing (meth)acrylic acid EVONIK RÖHM GMBH (DE) 2012-06-26 US disclosed
US-20110171702-A1 RECOMBINANT CELL PRODUCING 2-HYDROXYISOBUTYRIC ACID EVONIK ROEHM GMBH (DE) 2011-07-14 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-20120161071-A1 ACID GAS ABSORBENT, ACID GAS REMOVAL METHOD, AND ACID GAS REMOVAL DEVICE ALKBH1, ALKBH3, ALKBH2 ALDH1A1 247/4885TSHR 1545/4885SMN1; SMN2 3228/4885

“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.