SCHEMBL2208288

SCHEMBL2208288

CCCC(O)c1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.41
CNR2 P34972 2/20 0.41
MC4R P32245 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
TSHR P16473 2/20 0.38
CYP2C19 P33261 2/20 0.38
HSD11B1 P28845 1/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
P2RX7 Q99572 1/20 0.38
SLC6A4 P31645 1/20 0.37
ESR1 P03372 1/20 0.37
KCNH2 Q12809 2/20 0.36
EPHX2 P34913 1/20 0.36
PPARG P37231 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 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
SCHEMBL28565247 0.85 PDE2A (0.49) ACP3CNR2MC4RCYP1A2CYP3A4
SCHEMBL3175964 0.84 ACP3 (0.42) ACP3CNR2MC4RHSD11B1P2RX7
SCHEMBL6055140 0.84 TSHR (0.41) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL31081588 0.82 ACP3 (0.41) ACP3CNR2MC4RCYP1A2CYP3A4
SCHEMBL19879071 0.81 MC4R (0.41) ACP3CNR2MC4RCYP1A2CYP3A4
SCHEMBL12944872 0.80 MC4R (0.40) ACP3CNR2MC4RCYP1A2CYP3A4
SCHEMBL21311456 0.80 P2RX7 (0.42) ACP3CNR2MC4RCYP1A2CYP3A4
SCHEMBL16442475 0.80 P2RX7 (0.42) ACP3CNR2MC4RCYP1A2CYP3A4
SCHEMBL5698922 0.79 ACP3 (0.45) ACP3CNR2MC4RP2RX7SLC6A4
SCHEMBL163013 0.79 PNMT (0.47) ACP3CNR2CYP3A4POLBP2RX7

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-7981900-B2 Modulation microtubules diseases; antiproliferative agents; antiinflamamtory agents YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-07-19 US disclosed
US-20080194583-A1 Tubulin Inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD 2008-08-14 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 (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-20080194583-A1 Tubulin Inhibitors TUBB1, TUBB3, TUBA1C ACP3 1960/4885CNR2 4251/4885MC4R 3726/4885

“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.