SCHEMBL9949840

SCHEMBL9949840

CCC(CC)N(CC)CCO

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 1/20 0.33
FDPS P14324 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL5464607 0.90 MAPT (0.32) MAPTALDH1A1ALDH2FDPS
SCHEMBL11153349 0.89 MAPT (0.38) MAPTALDH1A1ALDH2
SCHEMBL9949963 0.86 LMNA (0.31)
SCHEMBL3972950 0.86
SCHEMBL9950755 0.85 ALDH1A1 (0.33) ALDH1A1FDPSHSD17B10
SCHEMBL9949300 0.83 SMN1; SMN2 (0.36) ALDH1A1HSD17B10
Dimethylamine SCHEMBL2934218 0.83 ABCC3 (0.30)
SCHEMBL9949325 0.83 ALDH1A1 (0.39) ALDH1A1MAPK1HSD17B10
SCHEMBL474333 0.81 LMNA (0.38) MAPTALDH1A1FDPSCYP1A2HSD17B10
SCHEMBL9949590 0.80 TSHR (0.33) MAPTALDH1A1ALDH2FDPS

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 6 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
EP-2705894-B1 Acid gas absorbent, acid gas removal method and acid gas removal device TOSHIBA KK (JP) 2018-05-23 EP 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 MAPT 4825/4885ALDH1A1 247/4885ALDH2 605/4885

“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.