SCHEMBL7085848

SCHEMBL7085848

O=C1CC[C@@H](c2cc3cc(C(F)(F)F)ccc3o2)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.45
PIM2 Q9P1W9 1/20 0.45
MAOA P21397 1/20 0.43
HRH3 Q9Y5N1 3/20 0.38
MAOB P27338 2/20 0.38
ADAMTS4 O75173 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
PGR P06401 1/20 0.36
PIM3 Q86V86 1/20 0.34
TBK1 Q9UHD2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL6615671 0.77 ACHE (0.53) MAOBBCHEACHE
SCHEMBL7254338 0.77 PIM1 (0.46) PIM1PIM2MAOAHRH3MAOB
SCHEMBL6617421 0.76 CYP2A6 (0.48) MAOAMAOBMEN1KMT2A
SCHEMBL7088408 0.75 PIM1 (0.46) PIM1PIM2MAOAHRH3MAOB
SCHEMBL9315699 0.73 PIM1 (0.44) PIM1PIM2MAOAHRH3MAOB
SCHEMBL10901812 0.72 MAOA (0.43) PIM1PIM2MAOAHRH3BCHE
SCHEMBL28730836 0.71 HTR1A (0.49) FFAR1
SCHEMBL29576060 0.71 HTR1A (0.49) FFAR1
SCHEMBL28730839 0.71 HTR1A (0.49) FFAR1
SCHEMBL7134911 0.68 PIM1 (0.36) PIM1PIM2MAOAHRH3MAOB

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 1096/4885MAOA 146/4885

“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.