SCHEMBL17473160

SCHEMBL17473160

CC(C)CCN(CCCCCCN(CCC(C)C)C(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.41
KDM4A O75164 1/20 0.41
PHF8 Q9UPP1 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
BLM P54132 1/20 0.36
CA1 P00915 3/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LPAR1 Q92633 2/20 0.33
LPAR5 Q9H1C0 2/20 0.33
USP2 O75604 1/20 0.33
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
ACE2 Q9BYF1 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
SCHEMBL4719766 0.91 CA1 (0.41) KDM4CKDM4APHF8KDM2ABLM
SCHEMBL8682329 0.86 BLM (0.43) KDM4CKDM4APHF8KDM2ABLM
SCHEMBL31040443 0.80 GABRP (0.41) KDM4CKDM4APHF8KDM2AALDH1A1
SCHEMBL3269727 0.80 CA1 (0.37) KDM4CKDM4APHF8KDM2ABLM
Hydrochloric Acid SCHEMBL25353344 0.79 GABRP (0.39) KDM4CKDM4APHF8KDM2AALDH1A1
SCHEMBL7534653 0.78 GGPS1 (0.43) CA1CA12CA2CA9ALDH1A1
SCHEMBL2197366 0.76 CA1 (0.41) CA1CA12CA2CA9ACE2
SCHEMBL15238200 0.76 KDM4C (0.46) KDM4CKDM4APHF8KDM2ABLM
SCHEMBL28582583 0.76 KDM4C (0.46) KDM4CKDM4APHF8KDM2ABLM
SCHEMBL4623644 0.75 CA12 (0.52) CA1CA12CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838892-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2022-10-12 EP disclosed
EP-3293173-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-07-28 EP disclosed
EP-3838892-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2021-06-23 EP disclosed
EP-2980066-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-04-21 EP disclosed
EP-3293173-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2018-03-14 EP disclosed
US-9714215-B2 Method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-07-25 US disclosed
US-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-02-25 US disclosed
EP-2980066-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2016-02-03 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-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE CPS1, ALKBH3, IDH3A KDM4C 147/4885KDM4A 146/4885PHF8 126/4885

“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.