SCHEMBL21755786

SCHEMBL21755786

OCCOc1ccc(-c2ccc(OCCO)c(C(c3cc(-c4ccc(OCCO)cc4)ccc3OCCO)c3cc(I)cc(I)c3OCCO)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
S1PR1 P21453 1/20 0.34
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
F2 P00734 1/20 0.33
PLAU P00749 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
MCHR1 Q99705 1/20 0.32
NR1I2 O75469 1/20 0.32
GAA P10253 3/20 0.31
MGAM O43451 2/20 0.30
SI P14410 2/20 0.30
MGAM2 Q2M2H8 2/20 0.30

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
SCHEMBL21755787 0.87 APP (0.35) GAAMGAMSIMGAM2
SCHEMBL23960177 0.84 TAAR5 (0.34) GAAMGAMSIMGAM2
SCHEMBL21755782 0.82
SCHEMBL21755802 0.80 MGAM (0.36) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL21755789 0.80
SCHEMBL20365718 0.79 ALDH1A1 (0.41) CYP3A4SMN1; SMN2S1PR1ALDH1A1RECQL
SCHEMBL23651656 0.79 ALDH1A1 (0.41) CYP3A4SMN1; SMN2S1PR1ALDH1A1RECQL
SCHEMBL23960139 0.78 TDP1 (0.37) CYP3A4SMN1; SMN2ALDH1A1GAA
SCHEMBL21755788 0.78 TDP1 (0.37) CYP3A4SMN1; SMN2ALDH1A1GAA
SCHEMBL21755767 0.77 PTPN1 (0.39) ALDH1A1

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-20210331994-A1 COMPOUND, COMPOSITION CONTAINING THE SAME, METHOD FOR FORMING RESIST PATTERN AND METHOD FOR FORMING INSULATING FILM MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-10-28 US disclosed
EP-3842491-A1 COMPOUND, COMPOSITION CONTAINING THE SAME, METHOD FOR FORMING RESIST PATTERN, AND METHOD FOR FORMING INSULATING FILM MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-06-30 EP disclosed
WO-2020040162-A1 COMPOUND, COMPOSITION CONTAINING SAME, METHOD FOR FORMING RESIST PATTERN, AND METHOD FOR FORMING INSULATING FILM 三菱瓦斯化学株式会社 2020-02-27 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-20210331994-A1 COMPOUND, COMPOSITION CONTAINING THE SAME, METHOD FOR FORMING RESIST PATTERN AND METHOD FOR FORMING INSULATING FILM BMI1, PRDM9, CTCF CYP3A4 3556/4885SMN1; SMN2 3124/4885S1PR1 3655/4885

“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.