SCHEMBL19201137

SCHEMBL19201137

CCCCCCC(C)(CCCCCC)C(C)(O)O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.46
GGPS1 O95749 7/20 0.46
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
SMPD1 P17405 1/20 0.42
CES2 O00748 1/20 0.40

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
SCHEMBL22799931 1.00 FDPS (0.46) FDPSGGPS1TSHRTHRBSMPD1
SCHEMBL19565503 0.80 FDPS (0.43) FDPSGGPS1TSHRTHRBSMPD1
SCHEMBL7939331 0.80 FDPS (0.43) FDPSGGPS1TSHRTHRBSMPD1
SCHEMBL4585292 0.80 FDPS (0.47) FDPSGGPS1SMPD1
SCHEMBL18874524 0.80 FDPS (0.43) FDPSGGPS1TSHRTHRBSMPD1
SCHEMBL31149403 0.80 FDPS (0.47) FDPSGGPS1SMPD1
SCHEMBL23467139 0.79 FDPS (0.46) FDPSGGPS1TSHRTHRBSMPD1
SCHEMBL28791871 0.79 FDPS (0.46) FDPSGGPS1TSHRTHRBSMPD1
SCHEMBL28791906 0.79 FDPS (0.46) FDPSGGPS1TSHRTHRBSMPD1
SCHEMBL28233886 0.79 FDPS (0.46) FDPSGGPS1TSHRTHRBSMPD1

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-20200392145-A1 PROCESS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2020-12-17 US disclosed
US-10208054-B2 Method of preparing buprenorphine JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2019-02-19 US disclosed
US-20170217978-A1 METHOD OF PREPARING BUPRENORPHINE JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-08-03 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-20200392145-A1 PROCESS C5, NUP205, NPM1 FDPS 2857/4885GGPS1 2873/4885TSHR 2552/4885
US-20170217978-A1 METHOD OF PREPARING BUPRENORPHINE OPRK1, OPRM1, OPRD1 FDPS 2089/4885GGPS1 3395/4885TSHR 1905/4885
US-10208054-B2 Method of preparing buprenorphine OPRK1, OPRM1, OPRD1 FDPS 2089/4885GGPS1 3395/4885TSHR 1905/4885

“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.