SCHEMBL3539238

SCHEMBL3539238

CC(O)CCNC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
ANPEP P15144 2/20 0.38
ERAP2 Q6P179 2/20 0.38
EPHX1 P07099 2/20 0.38
RAD52 P43351 1/20 0.38
CXCR4 P61073 3/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HTR1A P08908 1/20 0.37
CXCL12 P48061 1/20 0.37
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL17743460 1.00 KDM4E (0.52) KDM4ESMN1; SMN2HTTALDH1A1CYP1A2
SCHEMBL17743410 1.00 KDM4E (0.52) KDM4ESMN1; SMN2HTTALDH1A1CYP1A2
SCHEMBL17743423 0.98 KDM4E (0.48) KDM4ESMN1; SMN2HTTALDH1A1CYP1A2
SCHEMBL17743425 0.94 KDM4E (0.43) KDM4ESMN1; SMN2HTTALDH1A1CYP1A2
SCHEMBL4299479 0.89
SCHEMBL19148980 0.88 KDM4E (0.48) KDM4ESMN1; SMN2HTTALDH1A1CYP1A2
SCHEMBL7777018 0.83 ALDH1A1 (0.52) KDM4ESMN1; SMN2HTTALDH1A1CYP1A2
SCHEMBL3679901 0.83 ALDH1A1 (0.52) KDM4ESMN1; SMN2HTTALDH1A1CYP1A2
SCHEMBL7776906 0.80 ALDH1A1 (0.53) KDM4ESMN1; SMN2HTTALDH1A1CYP1A2
SCHEMBL10895092 0.79 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1CYP1A2CYP3A4

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 16 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
CN-112079732-B Synthetic route of 4-alkyl secondary amino-2-butanol compound 湖南大学 2021-10-08 CN disclosed
CN-112079732-A Synthetic route of 4-alkyl secondary amino-2-butanol compound 湖南大学 2020-12-15 CN disclosed
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
CN-105597492-A Acidic gas absorbing agent, method for removing acidic gas and apparatus for removing acidic gas TOSHIBA KK 2016-05-25 CN 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 KDM4E 1999/4885SMN1; SMN2 3484/4885HTT 4247/4885
US-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK3, JAK1, JAK2 KDM4E 1567/4885SMN1; SMN2 3594/4885HTT 4169/4885
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds JAK1, JAK3, JAK2 KDM4E 1999/4885SMN1; SMN2 3484/4885HTT 4247/4885

“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.