SCHEMBL9950118

SCHEMBL9950118

CCCC(CCC)NCCCCO

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CNR1 P21554 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ADRA1A P35348 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ABCC3 O15438 1/20 0.38
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL9950014 0.94 SMN1; SMN2 (0.42) SIGMAR1SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL9950039 0.93 LMNA (0.41) SIGMAR1SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL1619940 0.91 LMNA (0.46) SIGMAR1SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL9948939 0.89 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL9950040 0.87 ALDH1A1 (0.40) SIGMAR1SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL22915705 0.87 ALDH1A1 (0.40) SIGMAR1SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL2194365 0.84 LMNA (0.48) SIGMAR1SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL11441647 0.84 LMNA (0.48) SIGMAR1SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL9949886 0.83 LMNA (0.44) SIGMAR1SMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL11897547 0.83 SIGMAR1 (0.46) SIGMAR1ALDH1A1MEN1KMT2ATSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SIGMAR1 224/4885SMN1; SMN2 3228/4885LMNA 4049/4885

“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.