SCHEMBL21695082

SCHEMBL21695082

CCCCCCC(C)(CCC)c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.39
CNR1 P21554 5/20 0.39
NAAA Q02083 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.33
KIF11 P52732 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL21185893 0.98 ESR1 (0.39) CNR2CNR1NAAAESR1ESR2
SCHEMBL24475344 0.96 CNR2 (0.40) CNR2CNR1NAAACYP3A4CYP2D6
SCHEMBL19223950 0.96 CNR2 (0.40) CNR2CNR1NAAACYP3A4CYP2D6
SCHEMBL24871939 0.96 CNR2 (0.40) CNR2CNR1NAAACYP3A4CYP2D6
SCHEMBL21470858 0.95 CNR2 (0.40) CNR2CNR1NAAAESR1ESR2
SCHEMBL18852691 0.95 CNR2 (0.40) CNR2CNR1NAAAESR1ESR2
SCHEMBL19059382 0.94 CYP3A4 (0.39) CNR2CNR1NAAAESR1ESR2
SCHEMBL18612742 0.93 ESR1 (0.40) CNR2CNR1NAAAESR1ESR2
SCHEMBL19274594 0.93 CYP3A4 (0.38) CNR2CNR1NAAAESR1ESR2
SCHEMBL18910967 0.89 CNR2 (0.39) CNR2CNR1NAAAESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11208411-B2 Compositions and methods for treating parasitic diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-12-28 US disclosed
US-20200291030-A1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-09-17 US disclosed
US-20200031731-A1 Gold-Catalyzed C-C Cross-Coupling of Boron- and Silicon-Containing Aryl Compounds and Aryldiazonium Compounds by Visible-Light Universität Heidelberg (DE) 2020-01-30 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 (3 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-20200291030-A1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES LIPA, LSS, LIPC CNR2 2172/4885CNR1 2306/4885NAAA 123/4885
US-11208411-B2 Compositions and methods for treating parasitic diseases LIPA, LSS, LIPC CNR2 2172/4885CNR1 2306/4885NAAA 123/4885
US-20200031731-A1 Gold-Catalyzed C-C Cross-Coupling of Boron- and Silicon-Containing Aryl Compounds and Aryldiazonium Compounds by Visible-Light HCCS, AHR, CTRC CNR2 1373/4885CNR1 957/4885NAAA 3055/4885

“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.