SCHEMBL9949604

SCHEMBL9949604

CN(CCCO)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
SLC18A3 Q16572 1/20 0.34
FAAH O00519 1/20 0.33
PHGDH O43175 1/20 0.33
MGLL Q99685 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ADH1A P07327 3/20 0.32
ADH1C P00326 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
GRIN2B Q13224 1/20 0.31
LSS P48449 1/20 0.31

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
SCHEMBL1131900 0.98 HRH4 (0.40) HRH4HRH3SLC18A3FAAHPHGDH
SCHEMBL17743426 0.98 HRH4 (0.40) HRH4HRH3SLC18A3FAAHPHGDH
SCHEMBL7580833 0.98 HRH4 (0.34) HRH4HRH3SLC18A3FAAHPHGDH
SCHEMBL16822366 0.93 HRH4 (0.36) HRH4HRH3SLC18A3FAAHPHGDH
SCHEMBL17743439 0.91 HRH4 (0.39) HRH4HRH3SLC18A3FAAHPHGDH
SCHEMBL11064526 0.91 HRH4 (0.39) HRH4HRH3SLC18A3FAAHPHGDH
SCHEMBL17743437 0.91 HRH4 (0.39) HRH4HRH3SLC18A3FAAHPHGDH
SCHEMBL17743406 0.91 LSS (0.34) HRH4HRH3SLC18A3KMT2ASIGMAR1
SCHEMBL13306227 0.91
SCHEMBL11067339 0.90 SIGMAR1 (0.41) HRH4HRH3FAAHPHGDHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478184-A KRAS inhibitor and preparation method and application thereof 上海华汇拓医药科技有限公司 2023-07-25 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
EP-2705894-B1 Acid gas absorbent, acid gas removal method and acid gas removal device TOSHIBA KK (JP) 2018-05-23 EP disclosed
EP-2468385-B1 Acid gas absorbent, acid gas removal method and acid gas removal device TOSHIBA KK (JP) 2016-11-02 EP 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
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
EP-2705894-A1 Acid gas absorbent, acid gas removal method and acid gas removal device Kabushiki Kaisha Toshiba (JP) 2014-03-12 EP disclosed
CN-102553395-A Acid gas absorbent, acid gas removal method and acid gas removal device TOSHIBA KK 2012-07-11 CN 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-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 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 (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 HRH4 17/4885HRH3 12/4885SLC18A3 1055/4885

“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.