SCHEMBL16489892

SCHEMBL16489892

CCCCNC(=O)OC(COc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1)COc1ccc(C(C)(C)c2ccc(OCC(COc3ccc(C(C)(C)c4ccc(OCC5CO5)cc4)cc3)OC(=O)NCCCC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ TP53 P04637 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ PPARG P37231 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ AR P10275 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MGLL Q99685 1/20 0.39
▸ BCHE P06276 2/20 0.39

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
SCHEMBL17345248 0.88 HPGD (0.46) HPGDMEN1KMT2ATP53MAPT
SCHEMBL17349886 0.87 HPGD (0.45) HPGDMEN1KMT2ATP53MAPT
SCHEMBL17345234 0.86 HPGD (0.47) HPGDMEN1KMT2ATP53MAPT
SCHEMBL17051377 0.84 MAPT (0.42) HPGDMEN1KMT2ATP53MAPT
SCHEMBL17055367 0.83 MAPT (0.41) HPGDMEN1KMT2ATP53MAPT
SCHEMBL14562384 0.83 ALDH1A1 (0.61) HPGDMEN1KMT2ATP53MAPT
SCHEMBL17637037 0.81 KMT2A (0.61) HPGDMEN1KMT2ATP53MAPT
SCHEMBL16489905 0.81 BCHE (0.40) MEN1KMT2AALDH1A1MGLLBCHE
SCHEMBL13383361 0.79 ALDH1A1 (0.62) HPGDMEN1KMT2ATP53MAPT
SCHEMBL16489885 0.79 ALDH1A1 (0.65) HPGDMEN1KMT2ATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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 HPGD 2578/4885MEN1 2780/4885KMT2A 520/4885

“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.

Send feedback