SCHEMBL5077587

SCHEMBL5077587

C[CH]OC(=O)NCCCCCCCCCCCCCCCCCC

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.66
ACHE P22303 7/20 0.52
ZDHHC20 Q5W0Z9 1/20 0.52
ZDHHC2 Q9UIJ5 1/20 0.52
CASP2 P42575 1/20 0.50
MGLL Q99685 1/20 0.47

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
SCHEMBL11780042 1.00 EPHX1 (0.66) EPHX1ACHEZDHHC20ZDHHC2CASP2
SCHEMBL7790364 0.92 ACHE (0.59) EPHX1ACHE
SCHEMBL13583543 0.83 EPHX1 (0.63) EPHX1ACHEZDHHC20ZDHHC2CASP2
SCHEMBL3746705 0.83 EPHX1 (0.63) EPHX1ACHEZDHHC20ZDHHC2CASP2
SCHEMBL3663444 0.83 EPHX1 (0.63) EPHX1ACHEZDHHC20ZDHHC2CASP2
SCHEMBL7966153 0.81 EPHX1 (0.60) EPHX1ACHEZDHHC20ZDHHC2CASP2
SCHEMBL1416150 0.80 TDP1 (0.47) EPHX1ACHE
SCHEMBL3910901 0.79 EPHX1 (1.00) EPHX1ACHECASP2MGLL
SCHEMBL22693961 0.79 EPHX1 (1.00) EPHX1ACHECASP2MGLL
SCHEMBL1616893 0.79 EPHX1 (1.00) EPHX1ACHECASP2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904556-A2 POLYASPARTIC ACID DERIVATIVES IN COVERING AGENTS CONTAINING POLYSILOXANE Lanxess Deutschland GmbH (DE) 2008-04-02 EP disclosed
WO-2007003264-A2 POLYASPARTIC ACID DERIVATIVES IN COVERING AGENTS CONTAINING POLYSILOXANE LANXESS DEUTSCHLAND GMBH (DE) 2007-01-11 WO disclosed
EP-1518881-A2 Polymer modified by a polyether as adjuvant in leather manufacture Bayer Chemicals AG (DE) 2005-03-30 EP disclosed
US-20050058619-A1 Polyether-modified polymers as leather auxiliaries LANXESS DEUTSCHLAND GMBH (DE) 2005-03-17 US disclosed
EP-0842300-B1 USE OF POLYASPARTIC ACID AMIDES AS LEATHER AUXILIARY PRODUCTS BAYER AG (DE) 2001-11-07 EP disclosed
US-6254644-B1 LOW-METAL SALT TANNING WITH A REACTIVE ORGANIC TANNING AGENT, ALDEHYDES OR BISULPHITE-BLOCKED POLYISOCYANATES, AND RETANNING WITH POLYASPARTIC ACID AND/OR POLYASPARTAMIDES, FINISH OF POLYURETHANE AND/OR POLYESTERAMIDE BAYER AKTIENGESELLSCHAFT (DE) 2001-07-03 US disclosed
EP-0963445-A1 BIOLOGICALLY DEGRADABLE LEATHER BAYER AG (DE) 1999-12-15 EP disclosed
CN-1231286-A 1,2-Di-substituted piperidine derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO LTD (JP) 1999-10-13 CN disclosed
US-5885474-A TREATING LEATHER WITH MODIFIED POLYSUCCINIMIDE AND FIXING THE LEATHER BY ADDITION OF CHROMIUM, ALUMINUM, ZIRCONIUM OR TITANIUM COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
WO-1998038340-A1 BIOLOGICALLY DEGRADABLE LEATHER BAYER AKTIENGESELLSCHAFT (DE) 1998-09-03 WO disclosed
EP-0842300-A1 USE OF POLYASPARTIC ACID AMIDES AS LEATHER AUXILIARY PRODUCTS BAYER AG (DE) 1998-05-20 EP disclosed
WO-1997006279-A1 USE OF POLYASPARTIC ACID AMIDES AS LEATHER AUXILIARY PRODUCTS BAYER AKTIENGESELLSCHAFT (DE) 1997-02-20 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-20050058619-A1 Polyether-modified polymers as leather auxiliaries PUF60, B2M, CBR3 EPHX1 3012/4885ACHE 3981/4885ZDHHC20 873/4885

“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.