SCHEMBL4389342

SCHEMBL4389342

NCCCCC1OCCCO1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
NFKB1 P19838 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
DNM1 Q05193 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL10783088 0.98 SIGMAR1 (0.45) SIGMAR1NFKB1CA12CA1CA2
SCHEMBL4396289 0.93 SIGMAR1 (0.33) SIGMAR1
SCHEMBL4738398 0.90 SIGMAR1 (0.39) SIGMAR1NFKB1CA12CA1CA2
SCHEMBL4394008 0.82
SCHEMBL3977545 0.82
SCHEMBL3871787 0.78 PRKD3 (0.33)
SCHEMBL8926810 0.76 PRKD3 (0.36) LMNATSHR
SCHEMBL9734070 0.76
SCHEMBL4393734 0.76
SCHEMBL2754170 0.76 ALDH1A1 (0.54)

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-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
EP-0162244-B1 PROCESS FOR THE PREPARATION OF POLY(PHENYLENE ETHERS) AND THEIR USE FOR THE PRODUCTION OF MOULDED ARTICLES BASF Aktiengesellschaft (DE) 1987-06-24 EP disclosed
EP-0162244-A1 Process for the preparation of poly(phenylene ethers) and their use for the production of moulded articles BASF Aktiengesellschaft (DE) 1985-11-27 EP 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 SIGMAR1 611/4885NFKB1 2218/4885CA12 717/4885

“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.