SCHEMBL9950898

SCHEMBL9950898

OCCCCNC1CCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
CXCR4 P61073 8/20 0.47
CXCL12 P48061 1/20 0.47
KDM4E B2RXH2 1/20 0.45
HRH4 Q9H3N8 6/20 0.44
HRH3 Q9Y5N1 6/20 0.44
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.40

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
SCHEMBL4397999 1.00 EPHX1 (0.55) EPHX1CXCR4CXCL12KDM4EHRH4
SCHEMBL9949582 1.00 EPHX1 (0.55) EPHX1CXCR4CXCL12KDM4EHRH4
SCHEMBL10776080 0.98 EPHX1 (0.58) EPHX1CXCR4CXCL12KDM4EHRH4
SCHEMBL7801110 0.98 EPHX1 (0.58) EPHX1CXCR4CXCL12KDM4EHRH4
SCHEMBL5217162 0.98 EPHX1 (0.52) EPHX1CXCR4CXCL12KDM4EHRH4
SCHEMBL3537998 0.93 CXCR4 (0.49) EPHX1CXCR4CXCL12KDM4EHRH4
SCHEMBL1548264 0.93 CXCR4 (0.49) EPHX1CXCR4CXCL12KDM4EHRH4
SCHEMBL9950204 0.93 CXCR4 (0.49) EPHX1CXCR4CXCL12KDM4EHRH4
SCHEMBL9950170 0.93 EPHX1 (0.47) EPHX1CXCR4CXCL12KDM4EHRH4
SCHEMBL3541152 0.91 CXCR4 (0.46) EPHX1CXCR4CXCL12KDM4EHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3020464-B1 ACIDIC GAS ABSORBING AGENT, METHOD FOR REMOVING ACIDIC GAS AND APPARATUS FOR REMOVING ACIDIC GAS TOSHIBA KK (JP) 2019-10-02 EP claimed
EP-3020464-B1 ACIDIC GAS ABSORBING AGENT, METHOD FOR REMOVING ACIDIC GAS AND APPARATUS FOR REMOVING ACIDIC GAS TOSHIBA KK (JP) 2019-10-02 EP disclosed
CN-105597492-B The removing method and sour gas removing device of acid gas absorbent, sour gas 株式会社东芝 2018-11-16 CN disclosed
US-9446346-B2 Acidic gas absorbing agent, method for removing acidic gas and apparatus for removing acidic gas KABUSHIKI KAISHA TOSHIBA (JP) 2016-09-20 US disclosed
US-9409119-B2 Acid gas absorbent, acid gas removal method, and acid gas removal device KABUSHIKI KAISHA TOSHIBA (JP) 2016-08-09 US disclosed
US-20160136568-A1 ACIDIC GAS ABSORBING AGENT, METHOD FOR REMOVING ACIDIC GAS AND APPARATUS FOR REMOVING ACIDIC GAS KABUSHIKI KAISHA TOSHIBA (JP) 2016-05-19 US disclosed
EP-3020464-A1 ACIDIC GAS ABSORBING AGENT, METHOD FOR REMOVING ACIDIC GAS AND APPARATUS FOR REMOVING ACIDIC GAS Kabushiki Kaisha Toshiba (JP) 2016-05-18 EP 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 EPHX1 133/4885CXCR4 1697/4885CXCL12 3240/4885

“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.