SCHEMBL2028840

SCHEMBL2028840

CCC(CC)(c1ccc([N+](=O)[O-])c(Cl)c1)P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40

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
SCHEMBL9798929 0.87 CYP3A4 (0.42) LMNACYP1A2CYP3A4CYP2D6MAPT
SCHEMBL8061160 0.84 GPR35 (0.45) LMNACYP1A2CYP3A4MAPTCYP2C9
SCHEMBL6017684 0.82 GPR35 (0.37) LMNACYP3A4HTTALDH1A1GAA
SCHEMBL6017682 0.82 GPR35 (0.37) LMNACYP3A4HTTALDH1A1GAA
SCHEMBL2032819 0.81 ALDH1A1 (0.42) LMNACYP1A2CYP3A4CYP2C19HTT
SCHEMBL2030289 0.77 CYP3A4 (0.38) CYP3A4CYP2D6ALDH1A1HPGDTSHR
SCHEMBL78562 0.76 ALDH1A1 (0.51) LMNAMAPTALDH1A1MAPK1CA1
SCHEMBL2037217 0.74 PTPRC (0.65) LMNACYP1A2CYP3A4MAPTCYP2C9
SCHEMBL18562544 0.74 TSHR (0.55) LMNACYP1A2CYP3A4CYP2D6MAPT
SCHEMBL1509010 0.74 FDPS (0.36) PGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11242554-B2 Nitrodiarylethenes as fluorescence quenchers for nucleic acid probes ELITECHGROUP, INC. (US) 2022-02-08 US disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 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-11242554-B2 Nitrodiarylethenes as fluorescence quenchers for nucleic acid probes DNTT, NME2, DUT LMNA 1103/4885CYP1A2 518/4885CYP3A4 161/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS LMNA 4131/4885CYP1A2 3957/4885CYP3A4 3332/4885

“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.