SCHEMBL19220764

SCHEMBL19220764

CC(C)(C)OCCCCCC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.39
MEN1 O00255 1/20 0.39
FAAH O00519 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 2/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
DGKA P23743 1/20 0.33
LTB4R Q15722 1/20 0.33

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
SCHEMBL19220763 0.98 SOAT1 (0.36) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL7097731 0.91 SOAT1 (0.33) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL6340075 0.84 MAPK1 (0.32) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL6002870 0.83 SOAT1 (0.37) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL11989024 0.83 PAOX (0.46) ALDH1A1HDAC1HDAC2HDAC6DGKA
SCHEMBL32682788 0.83 PAOX (0.46) ALDH1A1HDAC1HDAC2HDAC6DGKA
SCHEMBL13455664 0.81 ALDH1A1 (0.38) MEN1FAAHCYP1A2KMT2AALDH1A1
SCHEMBL2398354 0.80 ALDH1A1 (0.56) MEN1KMT2AALDH1A1HDAC11
SCHEMBL14769788 0.79 EPHX2 (0.42) ALDH1A1PRSS1PRSS2PRSS3HDAC1
SCHEMBL13010550 0.79 DGKA (0.53) FAAHALDH1A1PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774079-B2 Quinazoline derivative CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2020-09-15 US disclosed
US-10421754-B2 Quinazoline derivative CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2019-09-24 US disclosed
US-20170226099-A1 QUINAZOLINE DERIVATIVE CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2017-08-10 US disclosed
US-20170226099-A1 QUINAZOLINE DERIVATIVE CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2017-08-10 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 (3 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-10774079-B2 Quinazoline derivative H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TOP2A, TOP1 SOAT1 1952/4885MEN1 2146/4885FAAH 4627/4885
US-10421754-B2 Quinazoline derivative H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TOP2A, TOP1 SOAT1 1952/4885MEN1 2146/4885FAAH 4627/4885
US-20170226099-A1 QUINAZOLINE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TOP2A, TOP1 SOAT1 1952/4885MEN1 2146/4885FAAH 4627/4885

“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.