SCHEMBL22013885

SCHEMBL22013885

COc1cc(C(=O)C(C)C)cc(OC(C)C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.38
EDNRB P24530 5/20 0.37
EDNRA P25101 5/20 0.37
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
DBH P09172 1/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35

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
SCHEMBL19543017 0.93 KDM4E (0.40) KDM4EALDH1A1CYP1A2MAPTKMT2A
SCHEMBL2657835 0.86 KDM4E (0.55) KDM4EALDH1A1LMNATDP1CYP1A2
SCHEMBL2658293 0.83 KDM4E (0.77) KDM4EALDH1A1LMNATDP1CYP1A2
SCHEMBL13689282 0.80 TAS1R3 (0.48) KDM4EALDH1A1LMNATDP1CYP1A2
SCHEMBL19330210 0.78 KDM4E (0.46) KDM4EALDH1A1LMNATDP1CYP1A2
SCHEMBL2656280 0.78 KMT2A (0.52) KDM4EALDH1A1LMNATDP1MAPT
SCHEMBL20768214 0.76 ALDH1A1 (0.44) KDM4EALDH1A1CYP1A2KMT2A
SCHEMBL30701234 0.76 ALDH1A1 (0.44) KDM4EALDH1A1CYP1A2KMT2A
SCHEMBL7668927 0.75 ALDH1A1 (0.42) KDM4EALDH1A1LMNATDP1CYP1A2
SCHEMBL7668923 0.75 ALDH1A1 (0.42) KDM4EALDH1A1LMNATDP1CYP1A2

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-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2020-05-26 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-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof MRPL38, ALG8, COG8 KDM4E 3210/4885ALDH1A1 787/4885LMNA 3900/4885

“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.