SCHEMBL23308705

SCHEMBL23308705

O=C(c1cc(C(=O)N(CCO)CCO)c(C(=O)N(CCO)CCO)cc1C(=O)N(CCO)CCO)N(CCO)CCO

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
TRPV1 Q8NER1 8/20 0.40
CA2 P00918 2/20 0.39
NTRK2 Q16620 1/20 0.38
ALPL P05186 2/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRNA7 P36544 1/20 0.32

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
SCHEMBL23308722 0.83 TP53 (0.44) TP53TRPV1CA2NTRK2ALPL
SCHEMBL4089780 0.81 TP53 (0.67) TP53TRPV1L3MBTL1KDM4EALDH1A1
SCHEMBL23308723 0.80 TP53 (0.42) TP53TRPV1ALPLL3MBTL1KDM4E
SCHEMBL23308730 0.79 SMN1; SMN2 (0.41) TP53TRPV1POLBKDM4EALDH1A1
SCHEMBL23308706 0.76 KDM4E (0.41) TP53TRPV1KDM4E
SCHEMBL7157289 0.75 ALDH1A1 (0.48) NTRK2L3MBTL1ALDH1A1
SCHEMBL27950767 0.75 ALDH1A1 (0.37) TP53TRPV1CA2ALPLL3MBTL1
SCHEMBL16364886 0.75 MAPT (0.50) TP53TRPV1CA2ALPLPOLB
SCHEMBL21561693 0.74 TP53 (0.58) TP53TRPV1CA2L3MBTL1CA12
SCHEMBL11687379 0.73 SLC9A1 (0.42) CA2ALPLKCNH2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11781071-B2 Cross-linking agent compound, liquid crystal alignment composition comprising the same, method of preparing liquid crystal alignment film, and liquid crystal alignment film and liquid crystal display using the same LG CHEM, LTD. (KR) 2023-10-10 US disclosed
US-11781071-B2 Cross-linking agent compound, liquid crystal alignment composition comprising the same, method of preparing liquid crystal alignment film, and liquid crystal alignment film and liquid crystal display using the same LG CHEM, LTD. (KR) 2023-10-10 US disclosed
US-20210122979-A1 CROSS-LINKING AGENT COMPOUND, LIQUID CRYSTAL ALIGNMENT COMPOSITION COMPRISING THE SAME, METHOD OF PREPARING LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY USING THE SAME LG CHEM, LTD. (KR) 2021-04-29 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-11781071-B2 Cross-linking agent compound, liquid crystal alignment composition comprising the same, method of preparing liquid crystal alignment film, and liquid crystal alignment film and liquid crystal display using the same LPXN, LIG4, MACF1 TP53 3366/4885TRPV1 4485/4885CA2 2546/4885
US-20210122979-A1 CROSS-LINKING AGENT COMPOUND, LIQUID CRYSTAL ALIGNMENT COMPOSITION COMPRISING THE SAME, METHOD OF PREPARING LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY USING THE SAME LPXN, LIG4, MACF1 TP53 3366/4885TRPV1 4485/4885CA2 2546/4885

“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.