SCHEMBL207546

SCHEMBL207546

C=CCOC(=O)C(COCc1ccccc1)NCc1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.47
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
NPC1 O15118 4/20 0.44
HDAC8 Q9BY41 1/20 0.43
ATM Q13315 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 3/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL207545 1.00 TACR1 (0.47) TACR1MMP2MMP3NPC1HDAC8
SCHEMBL207075 0.88 TACR1 (0.54) TACR1MMP2MMP3NPC1HDAC8
SCHEMBL207074 0.88 TACR1 (0.54) TACR1MMP2MMP3NPC1HDAC8
SCHEMBL2717201 0.84 TACR1 (0.53) TACR1MMP2MMP3NPC1HDAC8
SCHEMBL6160520 0.80 S1PR1 (0.49) TACR1ATMALDH1A1HTT
SCHEMBL6160524 0.80 S1PR1 (0.49) TACR1ATMALDH1A1HTT
SCHEMBL5055739 0.76 CA12 (0.55) TACR1ATMMEN1KMT2AALDH1A1
SCHEMBL2715155 0.74 BCHE (0.56) MEN1KMT2AALDH1A1HTT
SCHEMBL3414931 0.74 CASP1 (0.44) ATMALDH1A1POLB
SCHEMBL3414933 0.74 CASP1 (0.44) ATMALDH1A1POLB

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-8088923-B2 Cyclic-fused beta-lactones and their synthesis THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-01-03 US disclosed
US-20090062547-A1 CYCLIC-FUSED BETA-LACTONES AND THEIR SYNTHESIS THE TEXAS A&M UNIVERSITY SYSTEM 2009-03-05 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-20090062547-A1 CYCLIC-FUSED BETA-LACTONES AND THEIR SYNTHESIS COASY, FASN, OTUB1 TACR1 4422/4885MMP2 2622/4885MMP3 3719/4885

“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.