SCHEMBL2566313

SCHEMBL2566313

CCCCCCCC[C@@H](CCCCCCC=O)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
FAAH O00519 2/20 0.44
TRPV1 Q8NER1 2/20 0.44
ADH1B P00325 2/20 0.33
ADH1C P00326 2/20 0.33
ADH1A P07327 2/20 0.33
ADH4 P08319 2/20 0.33
ADH7 P40394 2/20 0.33
CA2 P00918 1/20 0.33
MGLL Q99685 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
EPHX1 P07099 1/20 0.31

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
SCHEMBL2566312 1.00 TSHR (0.48) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL8498824 1.00 TSHR (0.48) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL1327553 0.92 TSHR (0.37) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL16177605 0.88 CA2 (0.37) TSHRFAAHTRPV1CA2
SCHEMBL14834118 0.87 CA2 (0.36) TSHRCA2
SCHEMBL9031315 0.86 ADH1B (0.34) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL12083670 0.86 ADH1B (0.34) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL12083819 0.86 ADH1B (0.34) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL9031307 0.86 ADH1B (0.34) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL9865913 0.86 ADH1B (0.34) TSHRFAAHTRPV1ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021086610-A1 COMPOSITIONS AND METHODS OF USE VERA BIOTECHNOLOGY, INC. (US) 2021-05-06 WO disclosed
US-20200046786-A1 COMPOSITIONS AND METHODS OF USE Shah, Kirit (US) 2020-02-13 US disclosed
US-10478464-B2 Compositions and methods of use Shah, Kirit (US) 2019-11-19 US disclosed
EP-2381950-B1 hydroxyhexadecanoic acid for the treatment of cancer VANAS ONCOLOGY (US) 2013-11-13 EP disclosed
EP-2381950-A2 COMPOSITIONS AND METHODS OF USE Vanas Oncology (US) 2011-11-02 EP disclosed
US-20100209543-A1 COMPOSITIONS AND METHODS OF USE VANAS ONCOLOGY (US) 2010-08-19 US disclosed
US-20100209543-A1 COMPOSITIONS AND METHODS OF USE VANAS ONCOLOGY (US) 2010-08-19 US disclosed
WO-2010083311-A2 COMPOSITIONS AND METHODS OF USE VANAS ONCOLOGY (US) 2010-07-22 WO 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-20100209543-A1 COMPOSITIONS AND METHODS OF USE MKI67, VHL, CCNC TSHR 4443/4885FAAH 1231/4885TRPV1 4452/4885
US-20200046786-A1 COMPOSITIONS AND METHODS OF USE MKI67, VHL, CCNC TSHR 4443/4885FAAH 1231/4885TRPV1 4452/4885
US-10478464-B2 Compositions and methods of use MKI67, VHL, CCNC TSHR 4443/4885FAAH 1231/4885TRPV1 4452/4885

“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.