SCHEMBL9949841

SCHEMBL9949841

CCCCC(CC)N(C)C(C)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
CA2 P00918 5/20 0.34
MAPK1 P28482 1/20 0.34
CA1 P00915 3/20 0.33
SPHK1 Q9NYA1 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31
FDPS P14324 1/20 0.31
DNM1 Q05193 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
SCHEMBL9949416 0.91 SPHK1 (0.35) ALDH1A1CA2MAPK1CA1SPHK1
SCHEMBL9949103 0.87 SPHK1 (0.33) ALDH1A1CA2MAPK1SPHK1TSHR
SCHEMBL9949643 0.86 TSHR (0.35) TSHR
SCHEMBL5949184 0.84 ALDH1A1 (0.39) ALDH1A1CA2MAPK1CA1TDP1
SCHEMBL9950167 0.83 ALDH1A1 (0.37) ALDH1A1CA2MAPK1CA1TDP1
SCHEMBL9949756 0.83 ALDH1A1 (0.37) ALDH1A1CA2MAPK1CA1TDP1
SCHEMBL18822680 0.82 ALDH1A1 (0.34) ALDH1A1CA2MAPK1CA1TDP1
SCHEMBL9949972 0.81 TSHR (0.42) TSHR
SCHEMBL9950172 0.77 CHRNB2 (0.42) ALDH1A1SPHK1FDPSDNM1
SCHEMBL9949328 0.77 ALDH1A1 (0.35) ALDH1A1CA2MAPK1CA1SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106943848-B Carbon dioxide capture system and method of operating a carbon dioxide capture system 株式会社东芝 2021-04-13 CN disclosed
US-10864478-B2 Carbon dioxide capture system and a method of operating a carbon dioxide capture system KABUSHIKI KAISHA TOSHIBA (JP) 2020-12-15 US disclosed
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
EP-2705894-B1 Acid gas absorbent, acid gas removal method and acid gas removal device TOSHIBA KK (JP) 2018-05-23 EP disclosed
CN-106943848-A The method of carbon dioxide capture systems and operation carbon dioxide capture systems 株式会社东芝 2017-07-14 CN disclosed
US-20170165603-A1 CARBON DIOXIDE CAPTURE SYSTEM AND A METHOD OF OPERATING A CARBON DIOXIDE CAPTURE SYSTEM KABUSHIKI KAISHA TOSHIBA (JP) 2017-06-15 US 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
CN-102553395-A Acid gas absorbent, acid gas removal method and acid gas removal device TOSHIBA KK 2012-07-11 CN 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

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 247/4885CA2 201/4885MAPK1 2593/4885

“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.