SCHEMBL16246768

SCHEMBL16246768

C=CCc1c(C(=O)O)cc(C(=O)O)c(CC=C)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXRA P19793 2/20 0.33
PTGS2 P35354 1/20 0.32
KMT2A Q03164 1/20 0.31
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
MAPT P10636 2/20 0.31
XDH P47989 1/20 0.31
ALDH1A1 P00352 3/20 0.30
POLB P06746 1/20 0.30
SRD5A1 P18405 1/20 0.30
MAPK1 P28482 1/20 0.30
NR4A2 P43354 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4D Q08499 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL5178996 0.89 GAA (0.38) GAATSHRKDM4ESMN1; SMN2HSD17B10
SCHEMBL7139648 0.89 GAA (0.38) GAATSHRKDM4ESMN1; SMN2HSD17B10
SCHEMBL7162007 0.84 HSD17B10 (0.37) GAATSHRKDM4ESMN1; SMN2HSD17B10
SCHEMBL8846408 0.83 KDM4E (0.37) GAATSHRKDM4ESMN1; SMN2HSD17B10
SCHEMBL3227961 0.83 KDM4E (0.37) GAATSHRKDM4ESMN1; SMN2HSD17B10
SCHEMBL10706688 0.82 TSHR (0.40) GAATSHRKDM4ESMN1; SMN2HSD17B10
SCHEMBL787323 0.82 GAA (0.38) GAATSHRKDM4ESMN1; SMN2HSD17B10
SCHEMBL28157114 0.80 KDM4E (0.37) GAATSHRKDM4ESMN1; SMN2HSD17B10
SCHEMBL4591219 0.80 KDM4E (0.40) GAATSHRKDM4ESMN1; SMN2HSD17B10
SCHEMBL28211267 0.80 KDM4E (0.41) GAATSHRKDM4ESMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2999483-B1 CHEMICAL SYNTHESIS AND SCREENING OF BICYCLIC PEPTIDE LIBRARIES OHIO STATE INNOVATION FOUNDATION (US) 2018-10-31 EP disclosed
US-20180030094-A1 CHEMICAL SYNTHESIS AND SCREENING OF BICYCLIC PEPTIDE LIBRARIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-01 US disclosed
US-9868767-B2 Chemical synthesis and screening of bicyclic peptide libraries OHIO STATE INNOVATION FOUNDATION (US) 2018-01-16 US disclosed
US-20160115202-A1 CHEMICAL SYNTHESIS AND SCREENING OF BICYCLIC PEPTIDE LIBRARIES OHIO STATE INNOVATION FOUNDATION 2016-04-28 US disclosed
EP-2999483-A2 CHEMICAL SYNTHESIS AND SCREENING OF BICYCLIC PEPTIDE LIBRARIES Ohio State Innovation Foundation (US) 2016-03-30 EP disclosed
WO-2014190257-A2 CHEMICAL SYNTHESIS AND SCREENING OF BICYCLIC PEPTIDE LIBRARIES OHIO STATE INNOVATION FOUNDATION (US) 2014-11-27 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 (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-20180030094-A1 CHEMICAL SYNTHESIS AND SCREENING OF BICYCLIC PEPTIDE LIBRARIES BAD, VIP, SSB GAA 2629/4885TSHR 2404/4885KDM4E 4119/4885
US-20160115202-A1 CHEMICAL SYNTHESIS AND SCREENING OF BICYCLIC PEPTIDE LIBRARIES BAD, VIP, SSB GAA 2629/4885TSHR 2404/4885KDM4E 4119/4885

“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.