SCHEMBL15077436

SCHEMBL15077436

C=CC(C)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
RCE1 Q9Y256 1/20 0.42
IDO1 P14902 1/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
AGXT P21549 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
SLC6A2 P23975 3/20 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
SCHEMBL31059717 1.00 TSHR (0.43) TSHRRCE1IDO1SLC1A3SLC1A2
SCHEMBL21440871 0.82 RCE1 (0.48) TSHRRCE1IDO1SLC1A3SLC1A2
SCHEMBL7228724 0.82 TSHR (0.44) TSHRRCE1IDO1SLC1A3SLC1A2
SCHEMBL11026537 0.81 CA1 (0.38) IDO1CA1CA2CA9SIGMAR1
SCHEMBL6239311 0.80 SLC1A3 (0.47) TSHRRCE1IDO1SLC1A3SLC1A2
SCHEMBL6172748 0.80 SLC1A3 (0.47) TSHRRCE1IDO1SLC1A3SLC1A2
SCHEMBL9250351 0.80 RCE1 (0.45) TSHRRCE1IDO1SLC1A3SLC1A2
SCHEMBL4588952 0.80 SLC1A3 (0.47) TSHRRCE1IDO1SLC1A3SLC1A2
SCHEMBL22882738 0.79 RCE1 (0.46) TSHRRCE1IDO1SLC1A3SLC1A2
SCHEMBL10618556 0.79 RCE1 (0.46) TSHRRCE1IDO1SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815766-B2 Process for double carbonylation of allyl ethers to corresponding diesters EVONIK DEGUSSA GMBH (DE) 2017-11-14 US disclosed
US-9815766-B2 Process for double carbonylation of allyl ethers to corresponding diesters EVONIK DEGUSSA GMBH (DE) 2017-11-14 US disclosed
US-9815766-B2 Process for double carbonylation of allyl ethers to corresponding diesters EVONIK DEGUSSA GMBH (DE) 2017-11-14 US disclosed
US-20170174609-A1 PROCESS FOR DOUBLE CARBONYLATION OF ALLYL ETHERS TO CORRESPONDING DIESTERS EVONIK DEGUSSA GMBH (DE) 2017-06-22 US disclosed
US-20170174609-A1 PROCESS FOR DOUBLE CARBONYLATION OF ALLYL ETHERS TO CORRESPONDING DIESTERS EVONIK DEGUSSA GMBH (DE) 2017-06-22 US disclosed
US-20170174609-A1 PROCESS FOR DOUBLE CARBONYLATION OF ALLYL ETHERS TO CORRESPONDING DIESTERS EVONIK DEGUSSA GMBH (DE) 2017-06-22 US disclosed
US-8530452-B2 Tricyclic boron compounds for antimicrobial therapy MICURX PHARMACEUTICALS, INC. (KY) 2013-09-10 US disclosed
US-20130165411-A1 TRICYCLIC BORON COMPOUNDS FOR ANTIMICROBIAL THERAPY MICURX PHARMACEUTICALS, INC. (KY) 2013-06-27 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 (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-20130165411-A1 TRICYCLIC BORON COMPOUNDS FOR ANTIMICROBIAL THERAPY TBCA, TBCB, BTD TSHR 2173/4885RCE1 3940/4885IDO1 3821/4885
US-20170174609-A1 PROCESS FOR DOUBLE CARBONYLATION OF ALLYL ETHERS TO CORRESPONDING DIESTERS CBR3, CBR1, EPOR TSHR 256/4885RCE1 3746/4885IDO1 2171/4885

“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.