SCHEMBL7030455

SCHEMBL7030455

C[C@@H](C(=O)OP(=O)(O)Cl)N(OC(C)(C)C)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 4/20 0.33
RECQL P46063 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
STAT6 P42226 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL20162548 1.00 KDM4E (0.34) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL382026 0.85 KDM4E (0.36) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL22321965 0.85 KDM4E (0.36) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL779563 0.85 SMN1; SMN2 (0.37) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL20162518 0.84 KDM4E (0.38) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL781267 0.84 KDM4E (0.38) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL20856173 0.82 SMN1; SMN2 (0.38) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL7795340 0.82 SMN1; SMN2 (0.38) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL472185 0.81 SIGMAR1 (0.33) KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL20162506 0.80 ALDH1A1 (0.38) KDM4EALDH1A1MAPTLMNA

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
EP-1117669-B1 ANTIVIRAL PURINE DERIVATIVES UNIV CARDIFF (GB) 2003-01-29 EP disclosed
US-20010031745-A1 Antiviral purine derivatives UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2001-10-18 US disclosed
EP-1117669-A1 ANTIVIRAL PURINE DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD. (GB) 2001-07-25 EP disclosed
WO-2000018775-A1 ANTIVIRAL PURINE DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2000-04-06 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 (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-20010031745-A1 Antiviral purine derivatives PNP, TYMP, MTAP KDM4E 1279/4885TDP1 290/4885ALDH1A1 1940/4885

“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.