SCHEMBL16405347

SCHEMBL16405347

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

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.65
ALDH1A1 P00352 7/20 0.65
CYP3A4 P08684 2/20 0.65
HPGD P15428 1/20 0.64
TP53 P04637 3/20 0.54
HIF1A Q16665 3/20 0.54
HSD17B10 Q99714 1/20 0.54
THRB P10828 2/20 0.44
ATM Q13315 1/20 0.42
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HCAR2 Q8TDS4 3/20 0.37
ACHE P22303 1/20 0.35
PAOX Q6QHF9 1/20 0.35

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
SCHEMBL15249365 0.94 TSHR (0.69) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28998241 0.92 TSHR (0.73) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL12750069 0.92 TSHR (0.73) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL13607753 0.92 TSHR (0.73) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL15313577 0.92 TSHR (0.73) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28547369 0.88 TSHR (0.65) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8333843 0.87 TSHR (0.76) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL3783039 0.87 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8460859 0.86 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22561253 0.86 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53

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
US-20230242809-A1 PHOTOCHROMIC HYDROXYURETHANE COMPOUND TOKUYAMA CORPORATION (JP) 2023-08-03 US disclosed
CN-114058214-A UV (ultraviolet) curing inkjet ink and preparation method thereof 乐凯华光印刷科技有限公司 2022-02-18 CN disclosed
US-9458269-B2 Polymerizable composition, antireflection film, polarizing plate and image display device each using the same, and water-repellent or oil-repellent film FUJIFILM CORPORATION (JP) 2016-10-04 US disclosed
US-20150024267-A1 ELECTROLYTE HAVING IMPROVED HIGH-RATE CHARGE AND DISCHARGE PROPERTY, AND CAPACITOR COMPRISING SAME UNIVERSITY OF SEOUL INDUSTRY COOPERATION FOUNDATION (KR) 2015-01-22 US disclosed
US-8710113-B2 Dental composition, kit of parts and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-04-29 US disclosed
US-20130109777-A1 DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-05-02 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-20130109777-A1 DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF KIT, KDM5C, PHAX TSHR 4041/4885ALDH1A1 2380/4885CYP3A4 2983/4885

“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.