SCHEMBL16754246

SCHEMBL16754246

OCCCOCCCCNC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
CXCR4 P61073 5/20 0.41
CXCL12 P48061 1/20 0.41
HRH4 Q9H3N8 4/20 0.39
HRH3 Q9Y5N1 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 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
SCHEMBL16754262 0.98 ALDH1A1 (0.42) EPHX1ALDH1A1KDM4ECXCR4CXCL12
SCHEMBL16754249 0.96 EPHX1 (0.47) EPHX1ALDH1A1KDM4ECXCR4CXCL12
SCHEMBL16754245 0.94 KDM4E (0.46) EPHX1ALDH1A1KDM4ECXCR4CXCL12
SCHEMBL16754234 0.94 EPHX1 (0.45) EPHX1ALDH1A1KDM4ECXCR4CXCL12
SCHEMBL16754263 0.93 KDM4E (0.45) EPHX1ALDH1A1KDM4ECXCR4CXCL12
SCHEMBL16754242 0.93 ALDH1A1 (0.43) EPHX1ALDH1A1KDM4ECXCR4CXCL12
SCHEMBL16754271 0.92 KDM4E (0.47) ALDH1A1KDM4ECXCR4CXCL12SMN1; SMN2
SCHEMBL16754273 0.91 KDM4E (0.46) EPHX1ALDH1A1KDM4ECXCR4CXCL12
SCHEMBL16754272 0.91 SMN1; SMN2 (0.44) EPHX1ALDH1A1KDM4ECXCR4CXCL12
SCHEMBL16754259 0.91 ALDH1A1 (0.42) EPHX1ALDH1A1KDM4ECXCR4CXCL12

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 5 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
CN-104689686-A Acid gas absorbent, acid gas removal device, and acid gas removal method TOSHIBA KK 2015-06-10 CN 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 EPHX1 864/4885ALDH1A1 389/4885KDM4E 1875/4885

“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.