SCHEMBL11223347

SCHEMBL11223347

CC(=CCO)CCCC(C)(C)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
ALOX15 P16050 3/20 0.45
MEN1 O00255 2/20 0.45
CYP3A4 P08684 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
UGT1A1 P22309 1/20 0.43
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
SQLE Q14534 3/20 0.35
ELANE P08246 2/20 0.31

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
SCHEMBL11223343 1.00 PTPN1 (0.48) PTPN1ALOX15MEN1CYP3A4KMT2A
SCHEMBL10599229 0.88 PTPN1 (0.40) PTPN1ALOX15MEN1CYP3A4KMT2A
SCHEMBL10599218 0.86 PTPN1 (0.42) PTPN1ALOX15MEN1CYP3A4KMT2A
SCHEMBL16671131 0.83 SQLE (0.46) PTPN1ALOX15MEN1CYP3A4KMT2A
SCHEMBL16671129 0.83 SQLE (0.46) PTPN1ALOX15MEN1CYP3A4KMT2A
SCHEMBL8471068 0.83 CYP1A1 (0.38) PTPN1ALOX15ALDH1A1CYP1A1CYP1B1
SCHEMBL23779799 0.81 CYP1A1 (0.37) PTPN1ALOX15ALDH1A1CYP1A1CYP1B1
SCHEMBL21894289 0.81 ALOX15 (0.43) PTPN1ALOX15MEN1CYP3A4KMT2A
SCHEMBL10600941 0.81 CYP1A1 (0.37) PTPN1ALOX15ALDH1A1CYP1A1CYP1B1
SCHEMBL10600948 0.81 CYP1A1 (0.37) PTPN1ALOX15ALDH1A1CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57024313-A None JP disclosed
CN-111491912-B Method for producing acrylate compound 株式会社LG化学 2023-02-10 CN disclosed
EP-3686180-B1 PROCESS FOR PRODUCING ACRYLIC ACID ESTER COMPOUND LG CHEMICAL LTD (KR) 2022-09-07 EP disclosed
US-11028038-B2 Preparation method of acrylic ester compound LG CHEM, LTD. 2021-06-08 US disclosed
US-20200407308-A1 Preparation Method of Acrylic Ester Compound LG CHEM, LTD. (KR) 2020-12-31 US disclosed
CN-111491912-A Method for producing acrylate compound 株式会社LG化学 2020-08-04 CN disclosed
EP-3686180-A1 PROCESS FOR PRODUCING ACRYLIC ACID ESTER COMPOUND LG Chem, Ltd. (KR) 2020-07-29 EP disclosed
US-4338170-A CIS-TRANS CONVERSION IN THE PRESENCE OF THIOLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1982-07-06 US disclosed
JP-S5724313-A CIS-TRANS ISOMERIZING METHOD OF UNSATURATED COMPOUND NISSAN CHEM IND LTD 1982-02-08 JP disclosed
US-4107219-A OXIDIZING UNSATURATED AMINE, THERMAL REARRANGEMENT TO FORM UNSATURATED HYDROXYLAMINE, HYDROGENATION NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1978-08-15 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-11028038-B2 Preparation method of acrylic ester compound NAAA, APEH, AASDHPPT PTPN1 3909/4885ALOX15 1088/4885MEN1 920/4885
US-20200407308-A1 Preparation Method of Acrylic Ester Compound NAAA, APEH, AASDHPPT PTPN1 3909/4885ALOX15 1088/4885MEN1 920/4885

“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.