SCHEMBL21178018

SCHEMBL21178018

CC(C)N(C(C)C)P(Oc1ccccc1)N(C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.37
LMNA P02545 2/20 0.36
LTA4H P09960 3/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAOA P21397 2/20 0.33
PTGS1 P23219 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
MAOB P27338 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL379025 0.83 CA4 (0.37) CA4LMNALTA4HTSHRKDM4E
SCHEMBL23750741 0.79 MAOA (0.35) CA4LMNALTA4HTSHRKDM4E
SCHEMBL21178232 0.79 POLB (0.39) LMNAMAOAMAOBCYP1A2CYP2C9
SCHEMBL5828709 0.76 LMNA (0.32) CA4LMNALTA4HTSHRKDM4E
SCHEMBL21178029 0.72 ALDH1A1 (0.41) LMNAKDM4EGAAKMT2AHPGD
SCHEMBL25197295 0.70 CA4 (0.42) CA4LMNALTA4HTSHRKDM4E
Hydrochloric Acid SCHEMBL28439598 0.68 CA4 (0.40) CA4LMNALTA4HTSHRKDM4E
Bromide SCHEMBL25203008 0.68 CA4 (0.40) CA4LMNALTA4HTSHRKDM4E
SCHEMBL21178001 0.67 CA1 (0.41) LTA4HKMT2ACA1CA2CA9
SCHEMBL388603 0.67 CA4 (0.50) CA4LTA4HTSHRMAOAPTGS1

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-11427550-B2 5-fluorouracil compounds NUCORION PHARMACEUTICALS, INC. (US) 2022-08-30 US disclosed
CN-109666044-B Organophosphorus compound based on [2.2] p-cyclophane alkyl skeleton and intermediate, preparation method and application thereof 浙江大学 2021-03-05 CN disclosed
US-20200399227-A1 5-FLUOROURACIL COMPOUNDS NUCORION PHARMACEUTICALS, INC. 2020-12-24 US disclosed
WO-2019143860-A1 5-FLUOROURACIL COMPOUNDS NUCORION PHARMACEUTICALS, INC. (US) 2019-07-25 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 (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-20200399227-A1 5-FLUOROURACIL COMPOUNDS DPYD, DHFR, FAU CA4 4749/4885LMNA 1225/4885LTA4H 1599/4885
US-11427550-B2 5-fluorouracil compounds DPYD, DHFR, MTHFD1 CA4 4743/4885LMNA 1038/4885LTA4H 1471/4885

“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.