SCHEMBL17170447

SCHEMBL17170447

CP(C)(=O)CP(C)(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
CETP P11597 3/20 0.46
ALDH1A1 P00352 2/20 0.41
FOLH1 Q04609 1/20 0.41
SRC P12931 1/20 0.40
IDO1 P14902 1/20 0.39
MAOB P27338 1/20 0.39
PDPK1 O15530 1/20 0.39
MTOR P42345 1/20 0.39
ALPG P10696 1/20 0.39
PTK2B Q14289 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
PKM P14618 1/20 0.38
SRD5A2 P31213 1/20 0.38
AGXT P21549 1/20 0.38

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
SCHEMBL26361302 0.87 TSHR (0.53) TSHRCETPALDH1A1FOLH1SRC
SCHEMBL26361306 0.85 TSHR (0.61) TSHRCETPALDH1A1FOLH1SRC
SCHEMBL17170418 0.85 TSHR (0.55) TSHRCETPALDH1A1FOLH1SRC
SCHEMBL13185883 0.82 TSHR (0.57) TSHRCETPALDH1A1FOLH1SRC
SCHEMBL12567320 0.82 TSHR (0.57) TSHRCETPALDH1A1FOLH1SRC
SCHEMBL3367142 0.79 TSHR (0.63) TSHRCETPALDH1A1FOLH1SRC
SCHEMBL389180 0.79 TSHR (0.63) TSHRCETPALDH1A1FOLH1SRC
SCHEMBL13896611 0.79 TSHR (0.53) TSHRCETPALDH1A1FOLH1
SCHEMBL14440040 0.79 TSHR (0.53) TSHRCETPALDH1A1FOLH1SRC
SCHEMBL11508891 0.78 TSHR (0.56) TSHRCETPALDH1A1FOLH1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975911-B2 Antibacterial compounds and biological applications thereof MUTABILIS (FR) 2018-05-22 US disclosed
US-20150291636-A1 ANTIBACTERIAL COMPOUNDS AND BIOLOGICAL APPLICATIONS THEREOF LABORATOIRE BIODIM (FR) 2015-10-15 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 (1 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-20150291636-A1 ANTIBACTERIAL COMPOUNDS AND BIOLOGICAL APPLICATIONS THEREOF C3AR1, CFH, MSR1 TSHR 792/4885CETP 3704/4885ALDH1A1 1206/4885

“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.