SCHEMBL17888019

SCHEMBL17888019

CCC1COc2ccc(OC)cc2C1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.64
TP53 P04637 5/20 0.51
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
HRH3 Q9Y5N1 1/20 0.45
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
ALOX5 P09917 1/20 0.44
HTR1A P08908 1/20 0.43
HTR2B P41595 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL5227854 0.87 MTNR1A (0.63) MTNR1ATP53LMNAMAPTHRH3
SCHEMBL5228137 0.87 MTNR1A (0.67) MTNR1ATP53LMNAMAPTPOLB
SCHEMBL5227651 0.83 MTNR1A (0.59) MTNR1ATP53LMNAMAPTHRH3
SCHEMBL7297144 0.81 MTNR1A (0.63) MTNR1ATP53LMNAMAPTPOLB
SCHEMBL16303447 0.80 MTNR1A (0.58) MTNR1ATP53LMNAMAPTHRH3
SCHEMBL5261920 0.79 MTNR1A (1.00) MTNR1ATP53LMNAPOLB
SCHEMBL10177540 0.78 HRH4 (0.43) MTNR1AMAPTHRH3POLBSIGMAR1
SCHEMBL9082928 0.78 MTNR1A (0.57) MTNR1ATP53LMNAMAPTHRH3
SCHEMBL16303414 0.78 MTNR1A (0.57) MTNR1ATP53LMNAMAPTHRH3
SCHEMBL5227633 0.78 MTNR1A (0.76) MTNR1ATP53LMNA

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-20160185818-A1 BIDENTATE-BINDING MODULATORS OF LRRK2 AND JNK KINASES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2016-06-30 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-20160185818-A1 BIDENTATE-BINDING MODULATORS OF LRRK2 AND JNK KINASES LRRK2, PINK1, MAP2K3 MTNR1A 1721/4885TP53 1723/4885LMNA 3258/4885

“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.