SCHEMBL4284080

SCHEMBL4284080

CCc1ccc(Cl)cc1OBOc1cc(Cl)ccc1CC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.48
HTR2A P28223 12/20 0.48
KCNH2 Q12809 12/20 0.48
SLC6A2 P23975 3/20 0.39
LMNA P02545 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
TP53 P04637 1/20 0.36
IDO1 P14902 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL8151401 0.80 TRPV4 (0.52) SLC6A4HTR2AKCNH2SLC6A2LMNA
SCHEMBL2477899 0.79 TSHR (0.49) SLC6A4HTR2ASLC6A2TSHRTDP1
SCHEMBL23251387 0.78 TSHR (0.47) SLC6A4HTR2AKCNH2SLC6A2TP53
SCHEMBL519223 0.76 TRPV4 (0.47) SLC6A4KCNH2SLC6A2LMNASLC6A3
SCHEMBL17150071 0.76 SLC6A4 (0.43) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL3411402 0.76 TSHR (0.49) SLC6A4HTR2ASLC6A2TSHRTDP1
SCHEMBL28675562 0.76 HTR2A (0.68) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL18400152 0.74 KMT2A (0.46) SLC6A4HTR2AKCNH2SLC6A2LMNA
SCHEMBL19292595 0.74 SLC6A4 (0.42) SLC6A4HTR2AKCNH2SLC6A2LMNA
SCHEMBL13104127 0.74 HTR2A (0.42) SLC6A4HTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 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-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT SLC6A4 2808/4885HTR2A 3690/4885KCNH2 4578/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT SLC6A4 2939/4885HTR2A 3571/4885KCNH2 4560/4885

“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.