SCHEMBL7023153

SCHEMBL7023153

C[C@@H](C(=O)OP(=O)(O)Cl)N(OCC1CCC1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 11/20 0.36
PTGDR Q13258 6/20 0.36
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
GPR88 Q9GZN0 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PAX8 Q06710 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SRC P12931 1/20 0.34
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
ATM Q13315 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
SCHEMBL7028386 0.95 PTGIR (0.39) PTGIRPTGDRPTGER1PTGER4PTGER3
SCHEMBL7025600 0.86 CHRM2 (0.38) KDM4EMEN1NPC1MITFALDH1A1
SCHEMBL20856173 0.83 SMN1; SMN2 (0.38) KDM4EMEN1NPC1ALDH1A1RAB9A
SCHEMBL7795340 0.83 SMN1; SMN2 (0.38) KDM4EMEN1NPC1ALDH1A1RAB9A
SCHEMBL779563 0.81 SMN1; SMN2 (0.37) KDM4EMEN1NPC1ALDH1A1RAB9A
SCHEMBL472178 0.81 ALDH1A1 (0.38) KDM4EALDH1A1
SCHEMBL20162506 0.81 ALDH1A1 (0.38) KDM4EALDH1A1
SCHEMBL781866 0.81 POLB (0.37) KDM4EMEN1NPC1MITFALDH1A1
SCHEMBL22321965 0.79 KDM4E (0.36) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL382026 0.79 KDM4E (0.36) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2

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
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

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 PTGIR 3314/4885PTGDR 3672/4885PTGER1 2037/4885

“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.