SCHEMBL9949080

SCHEMBL9949080

CCCCC(C)N(C)C(O)CCC

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA4 P43681 1/20 0.36
SPHK1 Q9NYA1 2/20 0.34
ALDH1A1 P00352 1/20 0.33
FDPS P14324 1/20 0.32
TSHR P16473 1/20 0.32
DNM1 Q05193 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
SCHEMBL9949581 0.89 ALDH1A1 (0.37) CHRNB2CHRNB4CHRNA4SPHK1ALDH1A1
SCHEMBL9949492 0.88 TSHR (0.36) CHRNB2CHRNB4CHRNA4TSHR
SCHEMBL9950172 0.84 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA4SPHK1ALDH1A1
SCHEMBL19170777 0.83 DNM1 (0.36) CHRNB2CHRNB4CHRNA4ALDH1A1FDPS
SCHEMBL5948422 0.83 DNM1 (0.39) CHRNB2CHRNB4CHRNA4ALDH1A1TSHR
SCHEMBL19170714 0.83 DNM1 (0.39) CHRNB2CHRNB4CHRNA4ALDH1A1TSHR
SCHEMBL9949409 0.81 TSHR (0.36) CHRNB2CHRNB4CHRNA4TSHR
SCHEMBL465327 0.80 ALDH1A1 (0.39) SPHK1ALDH1A1FDPSDNM1
SCHEMBL9950791 0.79 ALDH1A1 (0.34) SPHK1ALDH1A1FDPSDNM1
SCHEMBL9950160 0.79 TSHR (0.35) CHRNB2CHRNB4CHRNA4TSHR

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 10 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
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 CHRNB2 3445/4885CHRNB4 3572/4885CHRNA4 2547/4885

“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.