SCHEMBL9949304

SCHEMBL9949304

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.34
ALDH1A1 P00352 1/20 0.33
FDPS P14324 1/20 0.32
DNM1 Q05193 2/20 0.32
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
OPRM1 P35372 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
SCHEMBL9949352 0.86 TSHR (0.35)
SCHEMBL5948977 0.85 DNM1 (0.38) ALDH1A1FDPSDNM1OPRM1
SCHEMBL9949184 0.83 ALDH1A1 (0.35) SPHK1ALDH1A1CA2MAPK1
SCHEMBL9950156 0.83 SPHK1 (0.32) SPHK1ALDH1A1FDPSDNM1
SCHEMBL9950134 0.82 SPHK1 (0.34) SPHK1ALDH1A1FDPSDNM1CA2
SCHEMBL24693228 0.81 DNM1 (0.35) ALDH1A1FDPSDNM1OPRM1
SCHEMBL5514697 0.81 DNM1 (0.35) SPHK1ALDH1A1DNM1OPRM1
SCHEMBL21558638 0.79 ALDH1A1 (0.34) ALDH1A1DNM1CA2MAPK1OPRM1
SCHEMBL9949328 0.78 ALDH1A1 (0.35) SPHK1ALDH1A1FDPSDNM1CA2
SCHEMBL9949522 0.78 SPHK1 (0.32) SPHK1ALDH1A1FDPSDNM1

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 9 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-2705894-B1 Acid gas absorbent, acid gas removal method and acid gas removal device TOSHIBA KK (JP) 2018-05-23 EP 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 SPHK1 3316/4885ALDH1A1 247/4885FDPS 2448/4885

“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.