SCHEMBL22159666

SCHEMBL22159666

O=C(OC(Cl)(Cl)Cl)[C@@]1(c2ccccc2)NCCc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.36
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
KIF11 P52732 3/20 0.33
MEN1 O00255 4/20 0.32
AKR1B1 P15121 1/20 0.32
BACE1 P56817 3/20 0.32
KMT2A Q03164 1/20 0.32
OPRM1 P35372 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
SCHEMBL30685518 1.00 HDAC9 (0.36) HDAC9EDNRBEDNRAKIF11MEN1
SCHEMBL1404157 0.81 HDAC9 (0.41) HDAC9EDNRBEDNRAKIF11MEN1
SCHEMBL30685517 0.81 HDAC9 (0.41) HDAC9EDNRBEDNRAKIF11MEN1
SCHEMBL1404156 0.81 HDAC9 (0.41) HDAC9EDNRBEDNRAKIF11MEN1
SCHEMBL1404158 0.81 HDAC9 (0.41) HDAC9EDNRBEDNRAKIF11MEN1
SCHEMBL29271794 0.81 CHRNA7 (0.36) EDNRBEDNRAKIF11AKR1B1OPRM1
SCHEMBL30965948 0.81 CHRNA7 (0.36) EDNRBEDNRAKIF11AKR1B1OPRM1
SCHEMBL27956103 0.81 HDAC9 (0.43) HDAC9EDNRBEDNRAKIF11MEN1
SCHEMBL3732088 0.81 HDAC9 (0.43) HDAC9EDNRBEDNRAKIF11MEN1
SCHEMBL28389144 0.80 OPRM1 (0.50) EDNRBEDNRAOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111051287-B Method for producing organic compound 株式会社钟化 2023-10-03 CN disclosed
US-11161820-B2 Process for producing organic compound KANEKA CORPORATION (JP) 2021-11-02 US disclosed
EP-3680235-A1 ORGANIC COMPOUND PRODUCTION METHOD Kaneka Corporation (JP) 2020-07-15 EP disclosed
US-20200207717-A1 PROCESS FOR PRODUCING ORGANIC COMPOUND KANEKA CORPORATION (JP) 2020-07-02 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 (2 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-11161820-B2 Process for producing organic compound RPN2, RPN1, DAD1 HDAC9 4867/4885EDNRB 2034/4885EDNRA 3008/4885
US-20200207717-A1 PROCESS FOR PRODUCING ORGANIC COMPOUND RPN2, RPN1, DAD1 HDAC9 4867/4885EDNRB 2034/4885EDNRA 3008/4885

“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.