SCHEMBL5248798

SCHEMBL5248798

C=C(C(=O)OCCCC)C(C)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
ALDH1A1 P00352 1/20 0.47
HPGD P15428 2/20 0.46
ATM Q13315 1/20 0.44
HCAR2 Q8TDS4 1/20 0.39
NAAA Q02083 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.37
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX1 P07099 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.36
ESR1 P03372 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL7123449 1.00 TSHR (0.52) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL28717268 0.93 TSHR (0.62) TSHRALDH1A1HCAR2NAAAMAPT
SCHEMBL4653225 0.88 TSHR (0.41) TSHRALDH1A1HPGDHCAR2TDP1
SCHEMBL3080867 0.86 TSHR (0.53) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL6200579 0.86 TSHR (0.53) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL28427957 0.85 TSHR (0.39) TSHRTDP1THRBACHE
SCHEMBL10652696 0.83 TSHR (0.50) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL6662257 0.83 TSHR (0.50) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL4370178 0.83 TSHR (0.50) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL6658726 0.83 TSHR (0.50) TSHRALDH1A1HPGDATMHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109988277-B Method for preparing AB block water-based dispersant based on RAFT method 中南林业科技大学 2022-03-25 CN claimed
CN-109988277-A A method of AB block aqueous dispersion is prepared based on RAFT method 中南林业科技大学 2019-07-09 CN claimed
CN-108997852-A A kind of machine casing heat radiation coating preparation method 蚌埠市奥特纸箱机械有限公司 2018-12-14 CN claimed
WO-1991018861-A1 2-(HYDROXYMETHYL) ACRYLATE DERIVATIVES AND PROCESS FOR THEIR PREPARATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1991-12-12 WO claimed
CN-109988277-B Method for preparing AB block water-based dispersant based on RAFT method 中南林业科技大学 2022-03-25 CN disclosed
CN-109988277-B Method for preparing AB block water-based dispersant based on RAFT method 中南林业科技大学 2022-03-25 CN disclosed
CN-107624120-B Acrylic polymer and process for producing the same 株式会社日本触媒 2021-03-02 CN disclosed
CN-109988277-A A method of AB block aqueous dispersion is prepared based on RAFT method 中南林业科技大学 2019-07-09 CN disclosed
CN-108997852-A A kind of machine casing heat radiation coating preparation method 蚌埠市奥特纸箱机械有限公司 2018-12-14 CN disclosed
EP-1832571-A1 Process for producing hydroxyl group-containing vinyl compound FUJIFILM Corporation (JP) 2007-09-12 EP disclosed
CN-101029004-A Process for producing hydroxyl group-containing vinyl compound FUJIFILM CORP (JP) 2007-09-05 CN disclosed
EP-1123915-B1 Process for producing alpha, beta-unsaturated carboxylic acid esters and catalyst for use in such process NIPPON CATALYTIC CHEM IND (JP) 2004-07-28 EP disclosed
US-20030083225-A1 Organolipic substance NATIONAL BANK OF CANADA (CA) 2003-05-01 US disclosed
US-6541656-B2 Reacting an alpha, beta unsaturated carboxylic acid ester with a heterocyclic oxygen nitrogen, or sulfur compound NIPPON SHOKUBAI COMPANY, LTD. (JP) 2003-04-01 US disclosed
EP-0738703-B1 Acrylic acid derivatives, method for preparing the acrylic acid derivatives, and acrylic acid polymers NIPPON CATALYTIC CHEM IND (JP) 2002-05-22 EP disclosed
US-20010034300-A1 Reacting an alpha, beta unsaturated carboxylic acid ester with a heterocyclic oxygen nitrogen, or sulfur compound NIPPON SHOKUBAI COMPANY LTD. (JP) 2001-10-25 US disclosed
EP-1123915-A1 Process for producing alpha, beta-unsaturated carboxylic acid esters and catalyst for use in such process Nippon Shokubai Co., Ltd. (JP) 2001-08-16 EP disclosed
US-5834576-A CROSSLINKING USING AN ACRYLIC ESTER CONTAINING ETHER GROUPS NIPPON SHOKUBAI CO., LTD. (JP) 1998-11-10 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 (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-20030083225-A1 Organolipic substance SGMS2, SGMS1, CYP2S1 TSHR 1902/4885ALDH1A1 919/4885HPGD 2971/4885

“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.