SCHEMBL21658542

SCHEMBL21658542

O=Cc1cc(OC(=O)CCCOC(=O)c2ccc(O)c(C=O)c2)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.45
ERN1 O75460 5/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KMT2A Q03164 1/20 0.43
SERPINE1 P05121 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR1H2 P55055 1/20 0.39
RNASEL Q05823 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 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
SCHEMBL21511206 0.96 HDAC6 (0.45) ESR1ERN1HDAC6KMT2ASERPINE1
SCHEMBL21658544 0.95 HDAC6 (0.47) ESR1ERN1HDAC6KMT2ASERPINE1
SCHEMBL21658541 0.95 HDAC6 (0.47) ESR1ERN1HDAC6KMT2ASERPINE1
SCHEMBL21658630 0.93 ERN1 (0.46) ESR1ERN1HDAC6KMT2ASERPINE1
SCHEMBL17875285 0.81 KMT2A (0.51) ERN1KMT2ALMNA
SCHEMBL21511144 0.77 ERN1 (0.54) ERN1KMT2A
SCHEMBL1092918 0.76 KDM4E (0.62) ESR1ERN1HDAC6LMNACYP1A2
SCHEMBL7596265 0.75 KMT2A (0.48) ERN1KMT2ALMNA
SCHEMBL8782679 0.73 BRD4 (0.53) ERN1
SCHEMBL21306617 0.73 ERN1 (0.56) ERN1KMT2A

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-20200283399-A1 METHOD OF PRODUCING POLYMERIZABLE COMPOUND, AND SOLUTION OF POLYMERIZABLE COMPOUND ZEON CORPORATION (JP) 2020-09-10 US disclosed
EP-3604289-A1 POLYMERIZABLE COMPOUND PRODUCTION METHOD AND POLYMERIZABLE COMPOUND SOLUTION Zeon Corporation (JP) 2020-02-05 EP disclosed
US-20200031786-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE LIQUID CRYSTAL MIXTURE, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC BODY, POLARIZING PLATE, DISPLAY DEVICE, ANTIREFLECTION FILM, AND COMPOUND ZEON CORPORATION (JP) 2020-01-30 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-20200031786-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE LIQUID CRYSTAL MIXTURE, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC BODY, POLARIZING PLATE, DISPLAY DEVICE, ANTIREFLECTION FILM, AND COMPOUND INF2, BOD1L1, CCNA1 ESR1 4001/4885ERN1 2386/4885HDAC6 4675/4885
US-20200283399-A1 METHOD OF PRODUCING POLYMERIZABLE COMPOUND, AND SOLUTION OF POLYMERIZABLE COMPOUND PDE8A, ADCY6, TKFC ESR1 4397/4885ERN1 1631/4885HDAC6 1020/4885

“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.