SCHEMBL9949581

SCHEMBL9949581

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA4 P43681 1/20 0.35
CA2 P00918 4/20 0.34
MAPK1 P28482 1/20 0.34
CA1 P00915 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 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
SCHEMBL9949080 0.89 CHRNB2 (0.36) ALDH1A1CHRNB2CHRNB4CHRNA4SPHK1
SCHEMBL9950160 0.86 TSHR (0.35) CHRNB2CHRNB4CHRNA4TSHR
SCHEMBL9950172 0.82 CHRNB2 (0.42) ALDH1A1CHRNB2CHRNB4CHRNA4SPHK1
SCHEMBL19170714 0.81 DNM1 (0.39) ALDH1A1CHRNB2CHRNB4CHRNA4TDP1
SCHEMBL5948422 0.81 DNM1 (0.39) ALDH1A1CHRNB2CHRNB4CHRNA4TDP1
SCHEMBL9949386 0.80 ALDH1A1 (0.38) ALDH1A1CA2MAPK1CA1TDP1
SCHEMBL21558500 0.79 ALDH1A1 (0.36) ALDH1A1CHRNB2CHRNB4CHRNA4CA2
SCHEMBL9950587 0.79 TSHR (0.40) TSHR
SCHEMBL9949756 0.78 ALDH1A1 (0.37) ALDH1A1CA2MAPK1CA1TDP1
SCHEMBL9949184 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 8 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
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 247/4885CHRNB2 3445/4885CHRNB4 3572/4885

“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.