SCHEMBL4392839

SCHEMBL4392839

SCC=CCc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.75
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ARG2 P78540 1/20 0.50
IDO1 P14902 2/20 0.48
TOP1 P11387 1/20 0.46
TSHR P16473 2/20 0.42
TRPA1 O75762 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KCNH2 Q12809 2/20 0.40
CALM1 P0DP23 1/20 0.39
MAPK1 P28482 1/20 0.38
ANPEP P15144 1/20 0.37
DHFR P00374 1/20 0.37
TP53 P04637 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
AGXT P21549 1/20 0.36

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
SCHEMBL10366617 1.00 MAOB (0.75) MAOBCA1CA2ARG2IDO1
SCHEMBL155054 0.87 MAOB (1.00) MAOBCA1CA2ARG2IDO1
SCHEMBL155055 0.87 MAOB (1.00) MAOBCA1CA2ARG2IDO1
SCHEMBL1524697 0.87 MAOB (1.00) MAOBCA1CA2ARG2IDO1
SCHEMBL10367402 0.81 MAOB (0.68) MAOBCA1CA2ARG2IDO1
SCHEMBL10367401 0.81 MAOB (0.68) MAOBCA1CA2ARG2IDO1
SCHEMBL15068413 0.77 MAOB (0.70) MAOBCA1CA2ARG2IDO1
SCHEMBL21558233 0.77 MAOB (0.70) MAOBCA1CA2ARG2IDO1
SCHEMBL7301824 0.77 MAOB (0.55) MAOBCA1CA2ARG2IDO1
SCHEMBL628859 0.76 MAOB (0.78) MAOBCA1CA2ARG2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP disclosed
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus MITSUI CHEMICALS, INC. (JP) 2006-04-27 US disclosed
EP-1484191-A1 REWRITABLE OPTICAL INFORMATION RECORDING MEDIUM AND RECORDING/REPRODUCING METHOD, RECORDING/REPRODUCING DEVICE Sony Corporation (JP) 2004-12-08 EP disclosed
US-5399596-A Cationic polymerization, production of epoxy resins, polystyrene, polyorthoesters, polyorthocarbonates SANSHIN KAGAKU KOGYO CO., LTD. (JP) 1995-03-21 US disclosed
EP-0331496-B1 POLYFLUORIDE SULFONIUM COMPOUNDS AND POLYMERIZATION INITIATOR THEREOF SANSHIN KAGAKU KOGYO CO., LTD. (JP) 1992-09-16 EP disclosed
EP-0205834-B1 7-THIABICYCLOHEPTANE SUBSTITUTED ETHERS E.R. Squibb & Sons, Inc. (US) 1990-10-31 EP disclosed
EP-0164075-B1 7-OXABICYCLOHEPTANE SUBSTITUTED THIO PROSTAGLANDIN ANALOGS E.R. Squibb & Sons, Inc. (US) 1990-09-12 EP disclosed
EP-0331496-A1 Polyfluoride sulfonium compounds and polymerization initiator thereof SANSHIN KAGAKU KOGYO CO., LTD. (JP) 1989-09-06 EP disclosed
US-4654364-A ANTIINFLAMMATORY ANTIALLERGENS, ANTIPSORIATIC E. R. SQUIBB & SONS, INC. (US) 1987-03-31 US disclosed
US-4647585-A Bicycloheptane substituted ethers E. R. SQUIBB & SONS, INC. (US) 1987-03-03 US disclosed
EP-0205834-A1 7-Thiabicycloheptane substituted ethers E.R. Squibb & Sons, Inc. (US) 1986-12-30 EP disclosed
US-4611006-A 5,6-epoxy-7-oxabicycloheptane substituted ethers useful in the treatment of thrombotic disease E. R. SQUIBB & SONS, INC. (US) 1986-09-09 US disclosed
US-4595692-A 7-thiabicycloheptane substituted ethers E. R. SQUIBB & SONS, INC. (US) 1986-06-17 US disclosed
US-4560698-A ANTIINFLAMMATORY, ANALGESIC, ANTICOAGULANT, BRONCHODILATOR, VASODILATION, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1985-12-24 US disclosed
EP-0164075-A2 7-Oxabicycloheptane substituted thio prostaglandin analogs E.R. Squibb & Sons, Inc. (US) 1985-12-11 EP disclosed
US-4258171-A Polyphosphazene polymers containing substituted alkyl/cycloalkyl substituents THE FIRESTONE TIRE & RUBBER COMPANY (US) 1981-03-24 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 MAOB 441/4885CA1 174/4885CA2 182/4885
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus ALPG, TRPC6, GNRHR MAOB 459/4885CA1 74/4885CA2 660/4885

“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.