SCHEMBL9950204

SCHEMBL9950204

OCCCNC1CCCCCCC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 8/20 0.49
CXCL12 P48061 1/20 0.48
EPHX1 P07099 1/20 0.47
KDM4E B2RXH2 2/20 0.46
RAD52 P43351 1/20 0.41
HRH4 Q9H3N8 3/20 0.41
HRH3 Q9Y5N1 3/20 0.41
ALDH1A1 P00352 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL1548264 1.00 CXCR4 (0.49) CXCR4CXCL12EPHX1KDM4ERAD52
SCHEMBL3537998 1.00 CXCR4 (0.49) CXCR4CXCL12EPHX1KDM4ERAD52
SCHEMBL3541152 0.98 CXCR4 (0.46) CXCR4CXCL12EPHX1KDM4ERAD52
SCHEMBL4397999 0.93 EPHX1 (0.55) CXCR4CXCL12EPHX1KDM4EHRH4
SCHEMBL9949582 0.93 EPHX1 (0.55) CXCR4CXCL12EPHX1KDM4EHRH4
SCHEMBL9950898 0.93 EPHX1 (0.55) CXCR4CXCL12EPHX1KDM4EHRH4
SCHEMBL9949345 0.93
SCHEMBL10776080 0.91 EPHX1 (0.58) CXCR4CXCL12EPHX1KDM4EHRH4
SCHEMBL7801110 0.91 EPHX1 (0.58) CXCR4CXCL12EPHX1KDM4EHRH4
SCHEMBL5217162 0.91 EPHX1 (0.52) CXCR4CXCL12EPHX1KDM4EHRH4

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 CXCR4 1697/4885CXCL12 3240/4885EPHX1 133/4885

“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.