SCHEMBL9949685

SCHEMBL9949685

CCCCCC(C)N(C)C(C)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.43
OPRM1 P35372 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA4 P43681 1/20 0.41
GPR84 Q9NQS5 3/20 0.39
CA1 P00915 2/20 0.39
FFAR1 O14842 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL27914015 0.98 SPHK1 (0.47) SPHK1CHRNB2CHRNB4CHRNA4GPR84
SCHEMBL9950172 0.93 CHRNB2 (0.42) SPHK1CHRNB2CHRNB4CHRNA4
SCHEMBL5949014 0.85 OPRM1 (0.48) SPHK1OPRM1CA1LMNATP53
SCHEMBL11861454 0.83 OPRM1 (0.46) SPHK1OPRM1LMNA
SCHEMBL9949853 0.83 TSHR (0.36) CHRNB2CHRNB4CHRNA4LMNA
SCHEMBL5948800 0.83 OPRM1 (0.46) SPHK1OPRM1LMNA
SCHEMBL29281611 0.83 TP53 (0.42) SPHK1CHRNB2CHRNB4CHRNA4GPR84
SCHEMBL21126444 0.81 OPRM1 (0.44) SPHK1OPRM1CA1LMNATP53
SCHEMBL1687785 0.80 OPRM1 (0.48) SPHK1OPRM1CHRNB2CHRNB4CHRNA4
SCHEMBL9626907 0.80 SPHK1 (0.47) SPHK1OPRM1GPR84FFAR1LMNA

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
EP-2705894-B1 Acid gas absorbent, acid gas removal method and acid gas removal device TOSHIBA KK (JP) 2018-05-23 EP disclosed
EP-2468385-B1 Acid gas absorbent, acid gas removal method and acid gas removal device TOSHIBA KK (JP) 2016-11-02 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 SPHK1 3316/4885OPRM1 824/4885CHRNB2 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.