SCHEMBL23787476

SCHEMBL23787476

CC(C)NCCOCCNC(C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR1B P28222 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRB2 P07550 1/20 0.30

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
SCHEMBL10092557 0.87 KDM4E (0.42) KDM4ECYP1A2CYP2D6CYP2C19POLB
SCHEMBL24784259 0.86 ADRB2 (0.39) KDM4ECYP1A2CYP2D6CYP2C19TDP1
SCHEMBL18908756 0.85 KDM4E (0.44) KDM4ECYP1A2CYP2D6CYP2C19POLB
SCHEMBL10914222 0.85 KDM4E (0.44) KDM4ECYP1A2CYP2D6CYP2C19POLB
SCHEMBL22930120 0.85 KDM4E (0.44) KDM4ECYP1A2CYP2D6CYP2C19POLB
SCHEMBL18908660 0.85 KDM4E (0.44) KDM4ECYP1A2CYP2D6CYP2C19POLB
SCHEMBL18908652 0.85 KDM4E (0.44) KDM4ECYP1A2CYP2D6CYP2C19POLB
SCHEMBL22837632 0.85 KDM4E (0.44) KDM4ECYP1A2CYP2D6CYP2C19POLB
SCHEMBL25827261 0.80 MEN1 (0.34) MEN1KMT2A
SCHEMBL19263447 0.80 HTT (0.33) CYP1A2CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210277050-A1 OPHTHALMIC COMPOSITIONS AND METHODS FOR THE TREATMENT OF EYE DISORDERS CELLIX BIO PRIVATE LIMITED (IN) 2021-09-09 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-20210277050-A1 OPHTHALMIC COMPOSITIONS AND METHODS FOR THE TREATMENT OF EYE DISORDERS F5, OR10J3, SHBG KDM4E 3362/4885CYP1A2 73/4885CYP2D6 34/4885

“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.