SCHEMBL16754259

SCHEMBL16754259

OCCOCCCCNC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
HTT P42858 2/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 1/20 0.39
CXCR4 P61073 3/20 0.39
TSHR P16473 2/20 0.39
CXCL12 P48061 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
EPHX1 P07099 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL16754242 0.98 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL16754261 0.94 KDM4E (0.47) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL16754262 0.92 ALDH1A1 (0.42) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL16754234 0.92 EPHX1 (0.45) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL16754266 0.92 KDM4E (0.46) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL16754246 0.91 EPHX1 (0.44) ALDH1A1KDM4EHTTCXCR4CXCL12
SCHEMBL16754249 0.91 EPHX1 (0.47) ALDH1A1KDM4EHTTCXCR4CXCL12
SCHEMBL16754273 0.89 KDM4E (0.46) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL16754244 0.88 SMN1; SMN2 (0.46) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL16754263 0.87 KDM4E (0.45) ALDH1A1KDM4EKMT2AMEN1HTT

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
US-9724642-B2 Acid gas absorbent, acid gas removal device, and acid gas removal method KABUSHIKI KAISHA TOSHIBA (JP) 2017-08-08 US claimed
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 ALDH1A1 389/4885KDM4E 1875/4885KMT2A 1257/4885

“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.