SCHEMBL24786378

SCHEMBL24786378

C=CC1Cc2ccccc2CNc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PRCP P42785 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B3 P37058 1/20 0.34
PNMT P11086 3/20 0.33

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
SCHEMBL30681591 0.77 PRCP (0.47) PRCP
SCHEMBL50587 0.77 PRCP (0.47) PRCP
SCHEMBL6443468 0.75 PRCP (0.33) PRCPGAA
SCHEMBL19542124 0.75 ALOX15 (0.48) ALOX15HSD17B10GAANPSR1HSD17B3
SCHEMBL14084313 0.75 ALOX15 (0.48) ALOX15HSD17B10PRCPGAANPSR1
Tetrafluoroethylene SCHEMBL6451837 0.69 PRCP (0.41) PRCP
Styrene SCHEMBL28135034 0.68 ALDH1A1 (0.50) PRCP
SCHEMBL4253259 0.67 ALOX15 (0.47) ALOX15HSD17B10GAANPSR1HSD17B3
SCHEMBL20829562 0.67 ALOX15 (0.47) ALOX15HSD17B10GAANPSR1HSD17B3
SCHEMBL18761542 0.67 ALOX15 (0.47) ALOX15HSD17B10GAANPSR1HSD17B3

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
US-11673865-B2 Cyclooctynes for click chemistry MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-06-13 US disclosed
US-20220402876-A1 CYCLOOCTYNES FOR CLICK CHEMISTRY MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2022-12-22 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-20220402876-A1 CYCLOOCTYNES FOR CLICK CHEMISTRY CBR3, CYCS, APOBEC3C ALOX15 200/4885HSD17B10 1158/4885PRCP 3325/4885
US-11673865-B2 Cyclooctynes for click chemistry CBR3, CYCS, APOBEC3C ALOX15 200/4885HSD17B10 1158/4885PRCP 3325/4885

“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.