SCHEMBL7085829

SCHEMBL7085829

O=C([N]CCC#C[C@@H]1CC[C@H](c2cc3cc(C(F)(F)F)ccc3o2)O1)Oc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
HRH3 Q9Y5N1 3/20 0.32
ADAMTS4 O75173 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL7088491 1.00 PIM1 (0.35) PIM1PIM2HRH3ADAMTS4MMP1
SCHEMBL7085826 0.80 PIM1 (0.33) PIM1PIM2HRH3ADAMTS4MMP1
SCHEMBL7090634 0.80 PIM1 (0.38) PIM1PIM2HRH3ADAMTS4MMP1
SCHEMBL7089641 0.80 PIM1 (0.38) PIM1PIM2HRH3ADAMTS4MMP1
SCHEMBL7088186 0.75 PIM1 (0.34) PIM1PIM2HRH3ADAMTS4MMP1
SCHEMBL7091719 0.75 PIM1 (0.34) PIM1PIM2HRH3ADAMTS4MMP1
SCHEMBL7085825 0.75 PIM1 (0.34) PIM1PIM2HRH3ADAMTS4MMP1
SCHEMBL7092370 0.74 HRH3 (0.33) PIM1PIM2HRH3
SCHEMBL7132800 0.74 HRH3 (0.33) PIM1PIM2HRH3
SCHEMBL7254338 0.67 PIM1 (0.46) PIM1PIM2HRH3ADAMTS4MMP1

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-20030055084-A1 Pharmaceutical compounds and methods of use thereof MILLENNIUM PHARMACEUTICAL, INC. 2003-03-20 US disclosed
WO-2003011848-A1 BENZOHETEROCYCLES AS LIPOXYGENASE INHITIBORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-02-13 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-20030055084-A1 Pharmaceutical compounds and methods of use thereof CYP3A5, DHPS, CYP3A43 PIM1 944/4885PIM2 1096/4885HRH3 537/4885

“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.