SCHEMBL16486901

SCHEMBL16486901

CC(CCc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.58
MMP2 P08253 1/20 0.58
MMP9 P14780 1/20 0.58
MMP13 P45452 1/20 0.58
MMP14 P50281 1/20 0.58
MME P08473 8/20 0.56
TSHR P16473 1/20 0.56
FFAR1 O14842 1/20 0.55
MMP3 P08254 1/20 0.53
ACE P12821 7/20 0.52
PTGS2 P35354 1/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50

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
SCHEMBL27800230 0.90 FDFT1 (0.54) MMP12MMP2MMP9MMP13MMP14
SCHEMBL18019606 0.90 FDFT1 (0.54) MMP12MMP2MMP9MMP13MMP14
SCHEMBL1073143 0.89 TSHR (0.68) TSHR
SCHEMBL264775 0.89 TSHR (0.68) TSHR
SCHEMBL12670558 0.89 TSHR (0.68) TSHR
SCHEMBL473576 0.89 TSHR (0.68) TSHR
Dimethylaminoethanol SCHEMBL125407 0.87 MMP12 (0.47) MMP12MMP2MMP9MMP13MMP14
Phosphine SCHEMBL27480220 0.87 TSHR (0.66) TSHR
SCHEMBL25181550 0.81 TSHR (0.50) TSHRFFAR1
SCHEMBL4020585 0.81 MME (0.63) MMEACECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189786-B2 Antibacterial compounds DUKE UNIVERSITY (US) 2019-01-29 US disclosed
US-10189786-B2 Antibacterial compounds DUKE UNIVERSITY (US) 2019-01-29 US disclosed
US-20160200673-A1 Antibacterial Compounds DUKE UNIVERSITY 2016-07-14 US disclosed
US-20160200673-A1 Antibacterial Compounds DUKE UNIVERSITY 2016-07-14 US disclosed
US-20160200673-A1 Antibacterial Compounds DUKE UNIVERSITY 2016-07-14 US disclosed
WO-2015024011-A2 ANTIBACTERIAL COMPOUNDS DUKE UNIVERSITY (US) 2015-02-19 WO disclosed
WO-2015024021-A2 ANTIBACTERIAL COMPOUNDS DUKE UNIVERSITY (US) 2015-02-19 WO disclosed
WO-2015024021-A2 ANTIBACTERIAL COMPOUNDS DUKE UNIVERSITY (US) 2015-02-19 WO disclosed
WO-2015024011-A2 ANTIBACTERIAL COMPOUNDS DUKE UNIVERSITY (US) 2015-02-19 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-10189786-B2 Antibacterial compounds Q6ZSR9, MRPL21, XDH MMP12 821/4885MMP2 1097/4885MMP9 765/4885
US-20160200673-A1 Antibacterial Compounds Q6ZSR9, MRPL21, XDH MMP12 821/4885MMP2 1097/4885MMP9 765/4885

“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.