SCHEMBL9949409

SCHEMBL9949409

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.34
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNA3 P32297 1/20 0.32
GRIN1 Q05586 4/20 0.31
GRIN2A Q12879 4/20 0.31
GRIN2D O15399 3/20 0.31
GRIN2C Q14957 3/20 0.31
GRIN2B Q13224 2/20 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
SCHEMBL9949492 0.87 TSHR (0.36) TSHRLMNACHRNB2CHRNB4CHRNA4
SCHEMBL9950587 0.84 TSHR (0.40) TSHRGRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL9950160 0.83 TSHR (0.35) TSHRLMNACHRNB2CHRNB4CHRNA4
SCHEMBL9949080 0.81 CHRNB2 (0.36) TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL465324 0.81 TSHR (0.36) TSHRLMNA
SCHEMBL23736364 0.80 TSHR (0.36) TSHRLMNA
SCHEMBL19505899 0.79 TSHR (0.32) TSHR
SCHEMBL26029431 0.79 TSHR (0.38) TSHRLMNACHRNB2CHRNB4CHRNA4
SCHEMBL9949764 0.77 LMNA (0.36) TSHRLMNA
SCHEMBL19778403 0.77 TSHR (0.31) TSHRCHRNB2CHRNB4CHRNA4

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
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
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 TSHR 1545/4885LMNA 4049/4885CHRNB2 3445/4885

“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.