SCHEMBL16754263

SCHEMBL16754263

OCCCCOCCCNC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
EPHX1 P07099 1/20 0.44
CXCR4 P61073 3/20 0.41
ALDH1A1 P00352 5/20 0.41
CXCL12 P48061 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HTR1A P08908 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL16754273 0.98 KDM4E (0.46) KDM4EEPHX1CXCR4ALDH1A1CXCL12
SCHEMBL16754249 0.96 EPHX1 (0.47) KDM4EEPHX1CXCR4ALDH1A1CXCL12
SCHEMBL16754245 0.94 KDM4E (0.46) KDM4EEPHX1CXCR4ALDH1A1CXCL12
SCHEMBL16754234 0.94 EPHX1 (0.45) KDM4EEPHX1CXCR4ALDH1A1CXCL12
SCHEMBL16754246 0.93 EPHX1 (0.44) KDM4EEPHX1CXCR4ALDH1A1CXCL12
SCHEMBL16754268 0.93 EPHX1 (0.44) KDM4EEPHX1CXCR4ALDH1A1CXCL12
SCHEMBL16754271 0.92 KDM4E (0.47) KDM4ECXCR4ALDH1A1CXCL12SMN1; SMN2
SCHEMBL16754266 0.91 KDM4E (0.46) KDM4ECXCR4ALDH1A1CXCL12SMN1; SMN2
SCHEMBL16754237 0.91 SMN1; SMN2 (0.44) KDM4EEPHX1CXCR4ALDH1A1SMN1; SMN2
SCHEMBL16754262 0.91 ALDH1A1 (0.42) KDM4EEPHX1CXCR4ALDH1A1CXCL12

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
EP-2883591-B1 ACID GAS ABSORBENT, ACID GAS REMOVAL DEVICE, AND ACID GAS REMOVAL METHOD TOSHIBA KK (JP) 2019-05-29 EP disclosed
US-9724642-B2 Acid gas absorbent, acid gas removal device, and acid gas removal method KABUSHIKI KAISHA TOSHIBA (JP) 2017-08-08 US disclosed
EP-2883591-A1 Acid gas absorbent, acid gas removal device, and acid gas removal method Kabushiki Kaisha Toshiba (JP) 2015-06-17 EP disclosed
US-20150151246-A1 ACID GAS ABSORBENT, ACID GAS REMOVAL DEVICE, AND ACID GAS REMOVAL METHOD KABUSHIKI KAISHA TOSHIBA (JP) 2015-06-04 US 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-20150151246-A1 ACID GAS ABSORBENT, ACID GAS REMOVAL DEVICE, AND ACID GAS REMOVAL METHOD ALKBH1, ALKBH3, GPBAR1 KDM4E 1875/4885EPHX1 864/4885CXCR4 2960/4885

“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.