SCHEMBL18409776

SCHEMBL18409776

CCCCNC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.49
KIF11 P52732 7/20 0.48
KCNH2 Q12809 1/20 0.48
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
DUT P33316 1/20 0.41
LTA4H P09960 2/20 0.40
CA4 P22748 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL25949223 0.89 HDAC3 (0.45) HDAC3HDAC1HDAC2LMNA
SCHEMBL14288491 0.87 KCNN4 (0.63) KCNN4KIF11HDAC3HDAC1HDAC2
SCHEMBL9439820 0.86 KIF11 (0.47) KCNN4KIF11KCNH2DRD2DRD4
SCHEMBL25868983 0.86 HTT (0.47) KCNN4KIF11KCNH2DRD2DRD4
SCHEMBL5391076 0.86 KIF11 (0.61) KCNN4KIF11KCNH2DRD2DRD4
SCHEMBL4363002 0.84 KIF11 (0.49) KCNN4KIF11KCNH2DRD2DRD4
SCHEMBL12225852 0.84 KIF11 (0.49) KCNN4KIF11KCNH2DRD2DRD4
SCHEMBL8040236 0.84 KIF11 (0.44) KCNN4KIF11KCNH2DRD2DRD4
SCHEMBL6302955 0.84 KIF11 (0.45) KCNN4KIF11KCNH2DRD2DRD4
SCHEMBL8053146 0.84 KIF11 (0.45) KCNN4KIF11KCNH2DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838913-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREFOR MabPlex International Co., Ltd. (CN) 2021-06-23 EP disclosed
US-20170022505-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2017-01-26 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-20170022505-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS SNRPE, PHAX, SNRPA KCNN4 4732/4885KIF11 758/4885KCNH2 4719/4885

“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.