SCHEMBL16489882

SCHEMBL16489882

C=CCOC(COc1ccc(C(C)(C)c2ccc(OCC(COc3ccc(C(C)(C)c4ccc(OCC5CO5)cc4)cc3)OCC=C)cc2)cc1)COc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
TP53 P04637 3/20 0.67
TSHR P16473 3/20 0.67
KMT2A Q03164 3/20 0.67
HIF1A Q16665 3/20 0.67
MAPT P10636 2/20 0.67
HPGD P15428 2/20 0.67
MEN1 O00255 2/20 0.67
CYP1A2 P05177 1/20 0.67
PPARG P37231 1/20 0.67
TDP1 Q9NUW8 1/20 0.41
PKM P14618 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
PPARD Q03181 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
HTT P42858 1/20 0.37
AR P10275 2/20 0.37
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL10049659 1.00 ALDH1A1 (0.67) ALDH1A1TP53TSHRKMT2AHIF1A
SCHEMBL6856775 0.88 ALDH1A1 (0.56) ALDH1A1TP53TSHRKMT2AHIF1A
SCHEMBL3105814 0.87 ALDH1A1 (0.78) ALDH1A1TP53TSHRKMT2AHIF1A
SCHEMBL16489888 0.86 ALDH1A1 (0.61) ALDH1A1TP53TSHRKMT2AHIF1A
SCHEMBL17051375 0.84 ALDH1A1 (0.61) ALDH1A1TP53TSHRKMT2AHIF1A
SCHEMBL10050541 0.84 TSHR (0.76) ALDH1A1TP53TSHRKMT2AHIF1A
SCHEMBL22688279 0.83 KMT2A (0.76) ALDH1A1TP53TSHRKMT2AHIF1A
SCHEMBL10049664 0.82 ALDH1A1 (0.61) ALDH1A1TP53TSHRKMT2AHIF1A
SCHEMBL22121 0.82 ALDH1A1 (1.00) ALDH1A1TP53TSHRKMT2AHIF1A
SCHEMBL31392960 0.82 ALDH1A1 (1.00) ALDH1A1TP53TSHRKMT2AHIF1A

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-10689482-B2 Epoxy compound having alkoxysilyl group, composition and hardened material comprising same, use for same, and production method for epoxy compound having alkoxysilyl group KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2020-06-23 US disclosed
US-20150051316-A1 EPOXY COMPOUND HAVING ALKOXYSILYL GROUP, COMPOSITION AND HARDENED MATERIAL COMPRISING SAME, USE FOR SAME, AND PRODUCTION METHOD FOR EPOXY COMPOUND HAVING ALKOXYSILYL GROUP KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2015-02-19 US disclosed
US-20150051316-A1 EPOXY COMPOUND HAVING ALKOXYSILYL GROUP, COMPOSITION AND HARDENED MATERIAL COMPRISING SAME, USE FOR SAME, AND PRODUCTION METHOD FOR EPOXY COMPOUND HAVING ALKOXYSILYL GROUP KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2015-02-19 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-20150051316-A1 EPOXY COMPOUND HAVING ALKOXYSILYL GROUP, COMPOSITION AND HARDENED MATERIAL COMPRISING SAME, USE FOR SAME, AND PRODUCTION METHOD FOR EPOXY COMPOUND HAVING ALKOXYSILYL GROUP ESD, ELL, ASH2L ALDH1A1 908/4885TP53 4626/4885TSHR 3894/4885
US-10689482-B2 Epoxy compound having alkoxysilyl group, composition and hardened material comprising same, use for same, and production method for epoxy compound having alkoxysilyl group ESD, ELL, ASH2L ALDH1A1 908/4885TP53 4626/4885TSHR 3894/4885

“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.