SCHEMBL3185207

SCHEMBL3185207

C=CCC(CC)OCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAM P19021 2/20 0.32
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 0.32
ABCC4 O15439 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 4/20 0.31
ALDH1A1 P00352 1/20 0.31
CPA1 P15085 2/20 0.31
CYP2C19 P33261 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
MME P08473 1/20 0.30
ACE P12821 1/20 0.30
ACE2 Q9BYF1 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
SCHEMBL17489135 0.88 ABCC4 (0.35) GRIK1GRIK2ABCC4MAPTTSHR
SCHEMBL21247140 0.81 CACNA2D1 (0.35) GRIK1GRIK2TSHRTHRATHRB
SCHEMBL6496314 0.81 FFAR3 (0.38) PAMTSHRALDH1A1CPA1THRB
SCHEMBL4365723 0.76 GRIK1 (0.33) GRIK1GRIK2TSHRALDH1A1CPA1
SCHEMBL13672285 0.74 HDAC1 (0.39) PAMTSHRALDH1A1CPA1MME
SCHEMBL5914607 0.74 TSHR (0.32) GRIK1GRIK2TSHRALDH1A1
SCHEMBL28908601 0.73 CYP1A2 (0.35) GRIK1GRIK2ABCC4MAPTTSHR
SCHEMBL3184155 0.73 PLA2G2C (0.35) ABCC4MAPTTSHRALDH1A1
SCHEMBL14752763 0.73 MEN1 (0.37) TSHR
SCHEMBL28575140 0.72 GRIK1 (0.37) GRIK1GRIK2ABCC4MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof NOVARTIS AG 2010-01-28 US disclosed
US-7612055-B2 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
US-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2007-03-29 US disclosed
EP-1682521-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF Novartis AG (CH) 2006-07-26 EP disclosed
WO-2005049585-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF NOVARTIS AG (CH) 2005-06-02 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-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof RPS11, MRPL21, RPS4Y1 PAM 150/4885GRIK1 2608/4885GRIK2 2964/4885
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof RPS11, MRPL21, RPS4Y1 PAM 150/4885GRIK1 2608/4885GRIK2 2964/4885

“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.