SCHEMBL9768854

SCHEMBL9768854

CC(C)C(=O)OCCCCC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ALDH1A1 P00352 2/20 0.31
EPHX1 P07099 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 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
SCHEMBL29263277 0.98 NAAA (0.35) NAAACYP4F2CYP4A11ALDH1A1EPHX1
SCHEMBL14296145 0.94 ALDH1A1 (0.32) ALDH1A1
SCHEMBL10044939 0.85 EGFR (0.33)
SCHEMBL17461875 0.84 HCAR2 (0.31) NAAACYP4F2CYP4A11
SCHEMBL4452698 0.83 DGKA (0.47) CYP4F2CYP4A11ALDH1A1CYP3A4TSHR
SCHEMBL4620336 0.82 NAAA (0.33) NAAACYP4F2CYP4A11ALDH1A1EPHX1
SCHEMBL27982814 0.82 NAAA (0.44) NAAAALDH1A1EPHX1CYP3A4TSHR
SCHEMBL8421539 0.82 NAAA (0.44) NAAAALDH1A1EPHX1CYP3A4TSHR
SCHEMBL23768094 0.80 CYP4F2 (0.34) CYP4F2CYP4A11
SCHEMBL9480850 0.79 ALDH1A1 (0.40) NAAAALDH1A1EPHX1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105916928-B The manufacturing method of adhesive resin and the manufacturing method of resin combination and adhesive resin and resin combination 昭荣化学工业株式会社 2019-01-08 CN disclosed
CN-105916928-A Method for producing binder resin, method for producing resin composition, binder resin, and resin composition 昭荣化学工业株式会社 2016-08-31 CN disclosed
US-20160022829-A1 TUBULYSIN COMPOUNDS AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2016-01-28 US disclosed
US-4997808-A Superconductive ceramic oxide combination EASTMAN KODAK COMPANY (US) 1991-03-05 US disclosed
EP-0376862-A2 A superconductive ceramic oxide combination EASTMAN KODAK COMPANY (US) 1990-07-04 EP disclosed
EP-0305965-A1 Process for preparing esters of unsaturated alcohols UNION CARBIDE CORPORATION (US) 1989-03-08 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-20160022829-A1 TUBULYSIN COMPOUNDS AND CONJUGATES THEREOF LGMN, TLL1, TEK NAAA 3475/4885CYP4F2 3491/4885CYP4A11 4762/4885

“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.