SCHEMBL4855151

SCHEMBL4855151

CCCCCNC(=O)C=O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 3/20 0.64
ZDHHC2 Q9UIJ5 2/20 0.64
EPHX1 P07099 10/20 0.58
CASP2 P42575 1/20 0.52
EGFR P00533 1/20 0.49
NAAA Q02083 1/20 0.48
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH4 P08319 1/20 0.48
ADH7 P40394 1/20 0.48
PAOX Q6QHF9 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL13645782 0.98 ZDHHC20 (0.68) ZDHHC20ZDHHC2EPHX1CASP2EGFR
SCHEMBL4850657 0.98 ZDHHC20 (0.68) ZDHHC20ZDHHC2EPHX1CASP2EGFR
SCHEMBL14332259 0.98 ZDHHC20 (0.68) ZDHHC20ZDHHC2EPHX1CASP2EGFR
SCHEMBL23505654 0.98 ZDHHC20 (0.68) ZDHHC20ZDHHC2EPHX1CASP2EGFR
SCHEMBL23505697 0.98 ZDHHC20 (0.68) ZDHHC20ZDHHC2EPHX1CASP2EGFR
SCHEMBL4855765 0.93
SCHEMBL535450 0.83
SCHEMBL5362502 0.82 ZDHHC20 (0.70) ZDHHC20ZDHHC2EPHX1CASP2EGFR
SCHEMBL6131120 0.82 ZDHHC20 (0.70) ZDHHC20ZDHHC2EPHX1CASP2EGFR
SCHEMBL444526 0.82 ZDHHC20 (0.70) ZDHHC20ZDHHC2EPHX1CASP2EGFR

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-20200190165-A1 COMPOUND HAVING AFFINITY SUBSTANCE TO SOLUBLE PROTEIN, CLEAVABLE PORTION AND REACTIVE GROUP, OR SALT THEREOF AJINOMOTO CO., INC. (JP) 2020-06-18 US disclosed
US-7355074-B2 Compounds having aromatic rings and side-chain amide-functionality and a method for transporting monovalent anions across biological membranes using the same THE UNIVERSITY OF MARYLAND (US) 2008-04-08 US disclosed
US-20050009921-A1 Compounds having aromatic rings and side-chain amide-functionality and a method for transporting monovalent anions across biological membranes using the same MARYLAND, UNIVERSITY OF 2005-01-13 US disclosed
US-6225334-B1 AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-05-01 US disclosed
US-5221762-A Reacting a phenol with benzolactone compound; then phosgene or thionyl chloride; esterification with alcohol BASF AKTIENGESELLSCHAFT (DE) 1993-06-22 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-20200190165-A1 COMPOUND HAVING AFFINITY SUBSTANCE TO SOLUBLE PROTEIN, CLEAVABLE PORTION AND REACTIVE GROUP, OR SALT THEREOF SPPL2B, CSTB, SPPL2A ZDHHC20 3644/4885ZDHHC2 4198/4885EPHX1 2765/4885
US-20050009921-A1 Compounds having aromatic rings and side-chain amide-functionality and a method for transporting monovalent anions across biological membranes using the same SLC26A3, SLC22A8, SLC43A1 ZDHHC20 427/4885ZDHHC2 449/4885EPHX1 2121/4885

“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.