SCHEMBL6791112

SCHEMBL6791112

CCCC[Sn](CCCC)(CCCC)c1cc(F)cc([N+](=O)[O-])c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 3/20 0.36
ESPL1 Q14674 1/20 0.36
TSHR P16473 1/20 0.34
PGR P06401 2/20 0.33
CYP19A1 P11511 3/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 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
SCHEMBL27088386 0.83 TSHR (0.52) POLBHTTMAPTESPL1TSHR
SCHEMBL4671190 0.80 TRPV1 (0.30)
SCHEMBL2922658 0.77 MAPT (0.51) HTTMAPTESPL1LMNAHDAC3
SCHEMBL2921060 0.77 TSHR (0.48) HTTMAPTESPL1TSHRMEN1
Pentane SCHEMBL21693644 0.70 CYP19A1 (0.56) POLBHTTMAPTESPL1TSHR
SCHEMBL7203812 0.70 CYP19A1 (0.62) POLBHTTMAPTTSHRPGR
SCHEMBL1172437 0.70 CYP19A1 (0.55) POLBHTTMAPTTSHRPGR
SCHEMBL1096789 0.69 HTR7 (0.41) TSHRLMNAHDAC3HDAC1HDAC2
SCHEMBL225947 0.69 TDP1 (0.44) POLBMAPTMEN1LMNAKMT2A
Fluoride SCHEMBL27574861 0.68 CYP19A1 (0.59) POLBHTTMAPTTSHRPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106626-A1 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-06-03 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-20040106626-A1 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, TFPI2 POLB 3134/4885HTT 3961/4885MAPT 4840/4885

“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.