SCHEMBL4640467

SCHEMBL4640467

CN(CCCC#N)CCCCN(C)CCCC#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
CHRM2 P08172 1/20 0.42
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
LCK P06239 1/20 0.34
HPGD P15428 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
MAPT P10636 2/20 0.30
LOX P28300 1/20 0.30
LOXL3 P58215 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
SCHEMBL18281275 0.97 TSHR (0.48) TSHRCHRM2ALDH1A1TDP1LCK
SCHEMBL9797780 0.92 TSHR (0.43) TSHRCHRM2ALDH1A1TDP1LCK
SCHEMBL14040492 0.92 CHRM2 (0.46) TSHRCHRM2ALDH1A1TDP1LCK
SCHEMBL3456909 0.92 CHRM2 (0.46) TSHRCHRM2ALDH1A1TDP1LCK
SCHEMBL16892353 0.89 CHRM2 (0.42) TSHRCHRM2ALDH1A1TDP1LCK
SCHEMBL2824702 0.84 TSHR (0.37) TSHRCHRM2ALDH1A1HPGDMAPT
SCHEMBL21077931 0.84 TSHR (0.48) TSHRCHRM2SIGMAR1S1PR2S1PR1
SCHEMBL2827056 0.82 CHRM2 (0.38) TSHRCHRM2ALDH1A1HPGDMAPT
SCHEMBL5613764 0.80 TSHR (0.50) TSHRCHRM2ALDH1A1LCKHPGD
SCHEMBL150143 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1419136-B1 POLYAMINES AND POLYMERS MADE THEREWITH INVISTA TECH SARL (CH) 2008-08-06 EP disclosed
US-6812325-B2 POLYAMIDES BASED ON DIAMINES HAVING TERTIARY AMINES WITH ALIPHATIC OR AROMATIC SUBSTITUENTS AND A SEPARATION OF >4 CARBON ATOMS BETWEEN ANY TWO NITROGEN GROUPS; POLYESTER/NYLON ADDITIVE TO INCREASE DYEABILITY BY ACID/BASIC DYES INVISTA NORTH AMERICA S.AR.L. 2004-11-02 US disclosed
EP-1419136-A2 POLYAMINES AND POLYMERS MADE THEREWITH INVISTA Technologies S.à.r.l. (US) 2004-05-19 EP disclosed
EP-1419196-A1 ACID DYEABLE POLYMER COMPOSITIONS INVISTA Technologies S.à.r.l. (US) 2004-05-19 EP disclosed
US-6723799-B2 BLENDS OF POLYESTER WITH NYLON; FIBERS, FABRICS AND FILMS E I. DU PONT DE NEMOURS AND COMPANY 2004-04-20 US disclosed
US-6713653-B2 USEFUL FOR IMPROVING ACID-DYEABILITY OF POLYMER COMPOSITIONS, FIBERS, FABRICS, FILMS AND OTHER ARTICLES E. I. DU PONT DE NEMOURS AND COMPANY 2004-03-30 US disclosed
US-20030208031-A1 Polyamines and polymers made therewith E.I. DU PONT DE NEMOURS AND COMPANY 2003-11-06 US disclosed
US-20030083441-A1 Acid dyeable polymer compositions INVISTA NORTH AMERICA S.A.R.L. 2003-05-01 US disclosed
WO-2003018689-A1 ACID DYEABLE POLYMER COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-03-06 WO disclosed
US-20030045674-A1 Polyamines and polymers made therewith INVISTA NORTH AMERICA S.A.R.L. 2003-03-06 US disclosed
WO-2003018533-A2 POLYAMINES AND POLYMERS MADE THEREWITH E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-03-06 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 (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-20030045674-A1 Polyamines and polymers made therewith PNISR, SRM, SMS TSHR 2252/4885CHRM2 1413/4885ALDH1A1 1810/4885

“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.