SCHEMBL9949348

SCHEMBL9949348

CCCC(C)N(CC)CCO

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MAPT P10636 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALDH2 P05091 1/20 0.30

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
SCHEMBL26088938 0.91 TSHR (0.40) TSHRMAPTCHRNB2CHRNB4CHRNA3
SCHEMBL27861089 0.88 MAPT (0.32) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9949299 0.87 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL9949739 0.87 ALDH1A1 (0.35) TSHRHSP90AA1HSP90AB1ALDH1A1
SCHEMBL9949055 0.85 SMN1; SMN2 (0.37) TSHRALDH1A1
SCHEMBL19889381 0.83 FDPS (0.34) TSHRHSP90AA1HSP90AB1
SCHEMBL7929076 0.81 MAPT (0.33) TSHRMAPTALDH1A1ALDH2
SCHEMBL29003701 0.81 MAPT (0.33) TSHRMAPTALDH1A1ALDH2
SCHEMBL10285142 0.80 TSHR (0.35) TSHRHSP90AA1HSP90AB1ALDH1A1
SCHEMBL1612949 0.80 TSHR (0.35) TSHRHSP90AA1HSP90AB1ALDH1A1

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 1545/4885HSP90AA1 1085/4885HSP90AB1 2292/4885

“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.