SCHEMBL10000701

SCHEMBL10000701

O=COCN1CCN(COC=O)CCN(CC(=O)O)CC1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
SLC6A9 P48067 1/20 0.36
S1PR1 P21453 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
SCHEMBL10251711 1.00 HSD17B10 (0.44) HSD17B10SLC6A9S1PR1
SCHEMBL10000706 1.00 HSD17B10 (0.44) HSD17B10SLC6A9S1PR1
SCHEMBL12747962 1.00 HSD17B10 (0.44) HSD17B10SLC6A9S1PR1
SCHEMBL12747968 0.94 HSD17B10 (0.40) HSD17B10SLC6A9S1PR1
SCHEMBL12747959 0.94 HSD17B10 (0.40) HSD17B10SLC6A9S1PR1
SCHEMBL12438440 0.91 HSD17B10 (0.38) HSD17B10S1PR1
SCHEMBL19342996 0.91 HSD17B10 (0.38) HSD17B10SLC6A9S1PR1
SCHEMBL12018091 0.90 HSD17B10 (0.37) HSD17B10SLC6A9
SCHEMBL19598843 0.90 CHRM5 (0.38) HSD17B10SLC6A9
SCHEMBL15143766 0.90 ALDH1A1 (0.39) HSD17B10SLC6A9

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-9764048-B2 Targeted molecular imaging probe and method for in vivo molecular imaging SHEN BAOZHONG (CN) 2017-09-19 US disclosed
US-20150202335-A1 TARGETED MOLECULAR IMAGING PROBE AND METHOD FOR IN VIVO MOLECULAR IMAGING SHEN BAOZHONG (CN) 2015-07-23 US disclosed
US-20120029177-A1 HETEROCYCLE-AMINO ACID DERIVATIVES FOR TARGETING CANCER TISSUE AND RADIOACTIVE OR NON-RADIOACTIVE LABELED COMPOUNDS THEREOF SNU R&DB FOUNDATION (KR) 2012-02-02 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-20150202335-A1 TARGETED MOLECULAR IMAGING PROBE AND METHOD FOR IN VIVO MOLECULAR IMAGING GJB2, GJA1, GAP43 HSD17B10 3433/4885SLC6A9 3051/4885S1PR1 2121/4885
US-20120029177-A1 HETEROCYCLE-AMINO ACID DERIVATIVES FOR TARGETING CANCER TISSUE AND RADIOACTIVE OR NON-RADIOACTIVE LABELED COMPOUNDS THEREOF DDC, AAAS, DNPEP HSD17B10 3217/4885SLC6A9 3908/4885S1PR1 4321/4885

“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.