SCHEMBL16893753

SCHEMBL16893753

C=CC(=O)OCCSc1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.53
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
ALDH1A1 P00352 7/20 0.41
TSHR P16473 6/20 0.41
CYP3A4 P08684 3/20 0.41
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 2/20 0.41
RECQL P46063 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL16893849 0.91 THRB (0.50) THRBHDAC1HDAC2ALDH1A1TSHR
SCHEMBL42562 0.91 THRB (0.58) THRBHDAC1HDAC2ALDH1A1TSHR
SCHEMBL16893909 0.90 HDAC1 (0.49) THRBHDAC1HDAC2ALDH1A1TSHR
SCHEMBL29311777 0.89 ALDH1A1 (0.50) THRBALDH1A1TSHRCYP3A4TP53
SCHEMBL16893852 0.89 TSHR (0.51) THRBHDAC1HDAC2ALDH1A1TSHR
SCHEMBL16893861 0.89 TSHR (0.51) THRBHDAC1HDAC2ALDH1A1TSHR
SCHEMBL16893701 0.89 TSHR (0.51) THRBHDAC1HDAC2ALDH1A1TSHR
SCHEMBL16893904 0.89 TSHR (0.51) THRBHDAC1HDAC2ALDH1A1TSHR
SCHEMBL16893640 0.89 TSHR (0.51) THRBHDAC1HDAC2ALDH1A1TSHR
SCHEMBL16893723 0.89 TSHR (0.51) THRBHDAC1HDAC2ALDH1A1TSHR

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
US-11952450-B2 Compound for encapsulation film and composition thereof, and film, organic light-emitting device and encapsulation method JILIN OLED OPTICAL AND ELECTRONIC MATERIALS CO., LTD. (CN) 2024-04-09 US claimed
US-20220259352-A1 Compound for encapsulation film and composition thereof, and film, organic light-emitting device and encapsulation method JILIN OLED OPTICAL AND ELECTRONIC MATERIALS CO., LTD. (CN) 2022-08-18 US claimed
US-20240117095-A1 GRIN LENSES MADE BY 3D PRINTING MONOMER-BASED INKS VADIENT OPTICS, LLC 2024-04-11 US disclosed
US-11952450-B2 Compound for encapsulation film and composition thereof, and film, organic light-emitting device and encapsulation method JILIN OLED OPTICAL AND ELECTRONIC MATERIALS CO., LTD. (CN) 2024-04-09 US disclosed
WO-2024064650-A2 GRIN LENSES MADE BY 3D PRINTING MONOMER-BASED INKS VADIENT OPTICS, LLC (US) 2024-03-28 WO disclosed
US-20220259352-A1 Compound for encapsulation film and composition thereof, and film, organic light-emitting device and encapsulation method JILIN OLED OPTICAL AND ELECTRONIC MATERIALS CO., LTD. (CN) 2022-08-18 US disclosed
US-10670796-B2 Organic-inorganic hybrid composition, optical member and optical device prepared using the same LMS CO., LTD. (KR) 2020-06-02 US disclosed
CN-111153922-A Compound, composition for packaging photoelectric device, preparation method, packaging film, electronic device and packaging method 吉林奥来德光电材料股份有限公司 2020-05-15 CN disclosed
US-20160070053-A1 ORGANIC-INORGANIC HYBRID COMPOSITION, OPTICAL MEMBER AND OPTICAL DEVICE PREPARED USING THE SAME LMS CO., LTD. (KR) 2016-03-10 US disclosed
US-20150198740-A1 ORGANIC-INORGANIC HYBRID COMPOSITION, PRODUCTION METHOD FOR SAME, AND OPTICAL SHEET AND OPTICAL DEVICE OF SAME CHANGKANG CHEMICAL CO., LTD. (KR) 2015-07-16 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-20220259352-A1 Compound for encapsulation film and composition thereof, and film, organic light-emitting device and encapsulation method AOX1, LOXL1, SEM1 THRB 4217/4885HDAC1 3554/4885HDAC2 4474/4885
US-11952450-B2 Compound for encapsulation film and composition thereof, and film, organic light-emitting device and encapsulation method TTPA, LOX, AOX1 THRB 4377/4885HDAC1 4520/4885HDAC2 4753/4885

“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.