SCHEMBL3537998

SCHEMBL3537998

OCCCNC1CCCCCC1

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
SCHEMBL9950204 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 18 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
US-7687507-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. (US) 2010-03-30 US disclosed
US-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC 2005-08-04 US disclosed
US-6890929-B2 Immunosuppressants; lupus, multiple sclerosis, skin disorders, antiarthritic agents, antihistamines, antiulcer agents, Crohn's disease PFIZER, INC. (US) 2005-05-10 US disclosed
EP-1087970-B1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS PFIZER PROD INC (US) 2004-04-28 EP disclosed
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds PFIZER INC. 2003-11-13 US disclosed
US-6610847-B2 Tyrosine kinase inhibitors; immunosuppressants PFIZER INC. 2003-08-26 US disclosed
US-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2002-02-14 US disclosed
US-4714698-A ANTITUMOR, ANTICOAGULANT DR. KARL THOMAE GMBH (DE) 1987-12-22 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 (4 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-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, JAK3, JAK2 CXCR4 1769/4885CXCL12 2294/4885EPHX1 2706/4885
US-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK3, JAK1, JAK2 CXCR4 1676/4885CXCL12 2769/4885EPHX1 2717/4885
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
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds JAK1, JAK3, JAK2 CXCR4 1769/4885CXCL12 2294/4885EPHX1 2706/4885

“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.