SCHEMBL16893909

SCHEMBL16893909

C=CC(=O)OCCCCSc1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.49
HDAC2 Q92769 5/20 0.49
THRB P10828 1/20 0.49
ALDH1A1 P00352 6/20 0.49
TSHR P16473 5/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.41
PTGS2 P35354 1/20 0.41
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 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
SCHEMBL16893701 0.99 TSHR (0.51) HDAC1HDAC2THRBALDH1A1TSHR
SCHEMBL16893723 0.99 TSHR (0.51) HDAC1HDAC2THRBALDH1A1TSHR
SCHEMBL16893852 0.99 TSHR (0.51) HDAC1HDAC2THRBALDH1A1TSHR
SCHEMBL16893904 0.99 TSHR (0.51) HDAC1HDAC2THRBALDH1A1TSHR
SCHEMBL16893640 0.99 TSHR (0.51) HDAC1HDAC2THRBALDH1A1TSHR
SCHEMBL16893861 0.99 TSHR (0.51) HDAC1HDAC2THRBALDH1A1TSHR
SCHEMBL16893849 0.96 THRB (0.50) HDAC1HDAC2THRBALDH1A1TSHR
SCHEMBL8041634 0.91 ALDH1A1 (0.55) HDAC1HDAC2THRBALDH1A1TSHR
SCHEMBL16893936 0.90 ALDH1A1 (0.58) HDAC1HDAC2THRBALDH1A1TSHR
SCHEMBL16893874 0.90 ALDH1A1 (0.58) HDAC1HDAC2THRBALDH1A1TSHR

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 8 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-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
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
US-20170218243-A1 GRAPHENE OXIDE-NANODIAMOND COMPOSITE, MANUFACTURING METHOD THEREOF, AND NANOFLUID INCLUDING THE SAME HYUNDAI MOTOR COMPANY (KR) 2017-08-03 US 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 HDAC1 3554/4885HDAC2 4474/4885THRB 4217/4885
US-11952450-B2 Compound for encapsulation film and composition thereof, and film, organic light-emitting device and encapsulation method TTPA, LOX, AOX1 HDAC1 4520/4885HDAC2 4753/4885THRB 4377/4885

“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.