SCHEMBL16246769

SCHEMBL16246769

C=CCOC(=O)c1cc(C(=O)O)cc(C(=O)OCC=C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.52
SNCA P37840 1/20 0.47
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2A1 P68400 1/20 0.40
RHOA P61586 1/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TPMT P51580 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 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
SCHEMBL7196703 1.00 CYP3A4 (0.52) CYP3A4SNCAALDH1A1TSHRHSD17B10
SCHEMBL254063 0.92 CYP3A4 (0.59) CYP3A4SNCAALDH1A1TSHRHSD17B10
SCHEMBL4657758 0.86 NPC1 (0.48) CYP3A4ALDH1A1MEN1KMT2AGAA
SCHEMBL2392472 0.86 CYP3A4 (0.54) CYP3A4SNCAALDH1A1TSHRHSD17B10
SCHEMBL175787 0.85 SNCA (0.59) CYP3A4SNCAALDH1A1TSHRHSD17B10
SCHEMBL7139650 0.85 CA12 (0.53) CYP3A4SNCAALDH1A1TSHRHSD17B10
Phosphine SCHEMBL10982972 0.84 CYP3A4 (0.53) CYP3A4SNCAALDH1A1TSHRHSD17B10
Isophthalic Acid SCHEMBL28712224 0.84 CYP3A4 (0.53) CYP3A4SNCAALDH1A1TSHRHSD17B10
SCHEMBL5889080 0.84 CYP2C9 (0.64) CYP3A4SNCAALDH1A1TSHRHSD17B10
SCHEMBL31666355 0.83 CYP3A4 (0.44) CYP3A4SNCAALDH1A1TSHRHSD17B10

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 13 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-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-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-9868767-B2 Chemical synthesis and screening of bicyclic peptide libraries OHIO STATE INNOVATION FOUNDATION (US) 2018-01-16 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
US-20160115202-A1 CHEMICAL SYNTHESIS AND SCREENING OF BICYCLIC PEPTIDE LIBRARIES OHIO STATE INNOVATION FOUNDATION 2016-04-28 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
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 CYP3A4 4338/4885SNCA 3575/4885ALDH1A1 4633/4885
US-20160115202-A1 CHEMICAL SYNTHESIS AND SCREENING OF BICYCLIC PEPTIDE LIBRARIES BAD, VIP, SSB CYP3A4 4338/4885SNCA 3575/4885ALDH1A1 4633/4885

“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.