SCHEMBL9949853

SCHEMBL9949853

CCCC(C)N(C)C(C)O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
CHRNB2 P17787 9/20 0.35
CHRNA4 P43681 9/20 0.35
CHRNB4 P30926 8/20 0.35
CHRNA3 P32297 6/20 0.34
LMNA P02545 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
SCHEMBL9950172 0.85 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9949492 0.84 TSHR (0.36) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL27969493 0.84 TSHR (0.36) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9949685 0.83 SPHK1 (0.43) CHRNB2CHRNA4CHRNB4LMNA
SCHEMBL5948626 0.83 TSHR (0.36) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL27914015 0.81 SPHK1 (0.47) CHRNB2CHRNA4CHRNB4LMNA
SCHEMBL9950160 0.80 TSHR (0.35) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9949166 0.79 TSHR (0.36) TSHRCHRNB2CHRNA4CHRNB4LMNA
SCHEMBL29265036 0.78 TSHR (0.42) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9949341 0.78

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 TSHR 1545/4885CHRNB2 3445/4885CHRNA4 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.