SCHEMBL30456612

SCHEMBL30456612

C=CC(=O)OCCCCCCOc1ccc(C#Cc2ccc(C(=O)Oc3ccc(OC(=O)c4ccc(C#Cc5ccc(OCCCCCCOC(=O)C=C)cc5)cc4)c(C(=O)OCCCCCCCCCCCOc4ccc(-c5ccc(C#N)cc5)cc4)c3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
MMP3 P08254 6/20 0.39
MMP2 P08253 6/20 0.38
PTPN2 P17706 3/20 0.36
PTPN1 P18031 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.35
HTT P42858 1/20 0.35
THRB P10828 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PTPN11 Q06124 1/20 0.33

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
SCHEMBL25269639 1.00 HDAC1 (0.40) HDAC1HDAC2MMP3MMP2PTPN2
SCHEMBL30457662 1.00 HDAC1 (0.40) HDAC1HDAC2MMP3MMP2PTPN2
SCHEMBL25227956 1.00 HDAC1 (0.40) HDAC1HDAC2MMP3MMP2PTPN2
SCHEMBL25226273 1.00 HDAC1 (0.40) HDAC1HDAC2MMP3MMP2PTPN2
SCHEMBL30457539 1.00 HDAC1 (0.40) HDAC1HDAC2MMP3MMP2PTPN2
SCHEMBL25276683 0.99 HDAC1 (0.40) HDAC1HDAC2MMP3MMP2PTPN2
SCHEMBL30457044 0.99 HDAC1 (0.40) HDAC1HDAC2MMP3MMP2PTPN2
SCHEMBL4333267 0.97 MAPT (0.38) HDAC1HDAC2MMP3PTPN2PTPN1
SCHEMBL496334 0.97 HDAC1 (0.42) HDAC1HDAC2MMP3MMP2PTPN2
SCHEMBL4335911 0.97 HDAC1 (0.42) HDAC1HDAC2MMP3MMP2PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12534670-B2 Liquid crystal compounds Rolic Technologies AG (CH) 2026-01-27 US disclosed
US-20250066666-A1 LIQUID CRYSTAL COMPOUNDS Rolic Technologies AG (CH) 2025-02-27 US disclosed
EP-4444822-A1 LIQUID CRYSTAL COMPOUNDS Rolic Technologies AG (CH) 2024-10-16 EP disclosed
WO-2023104545-A1 LIQUID CRYSTAL COMPOUNDS Rolic Technologies AG (CH) 2023-06-15 WO 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-12534670-B2 Liquid crystal compounds SCO2, LBR, C1R HDAC1 4042/4885HDAC2 3701/4885MMP3 2736/4885

“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.