SCHEMBL3896366

SCHEMBL3896366

CCCCCC(C=O)(CCCCC)CCCCC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
FDPS P14324 10/20 0.39
GGPS1 O95749 7/20 0.39
EPHX1 P07099 1/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
FAAH O00519 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL7732151 0.95 TSHR (0.44) TSHRFDPSGGPS1EPHX1ADH1B
SCHEMBL28626292 0.93 TSHR (0.42) TSHRFDPSGGPS1EPHX1ADH1B
SCHEMBL7735780 0.93 TSHR (0.42) TSHRFDPSGGPS1EPHX1ADH1B
SCHEMBL28211171 0.90 TSHR (0.39) TSHRFDPSGGPS1EPHX1ADH1B
SCHEMBL28171004 0.87 TSHR (0.37) TSHRFDPSGGPS1EPHX1ADH1B
SCHEMBL1714213 0.87 TSHR (0.42) TSHRFDPSGGPS1EPHX1ADH1B
SCHEMBL11170814 0.86 TSHR (0.38) TSHRFDPSEPHX1ADH1BADH1C
SCHEMBL9578391 0.85 FDPS (0.39) FDPSGGPS1
SCHEMBL20873210 0.85 FDPS (0.39) FDPSGGPS1
SCHEMBL28422225 0.85 TSHR (0.41) TSHRFDPSGGPS1EPHX1ADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517895-B2 Synthetic diazonamides BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-04-14 US disclosed
US-20060089397-A1 Synthetic diazonamides BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-04-27 US disclosed
US-7022720-B2 Synthetic diazonamides as novel anti-mitotic agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-04-04 US disclosed
US-20030100589-A1 Synthetic diazonamides as novel anti-mitotic agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-05-29 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-20060089397-A1 Synthetic diazonamides BUB1B, BUB1, CDK15 TSHR 3210/4885FDPS 1169/4885GGPS1 3066/4885
US-20030100589-A1 Synthetic diazonamides as novel anti-mitotic agents BUB1B, BUB1, BUB3 TSHR 3852/4885FDPS 1682/4885GGPS1 3107/4885

“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.