SCHEMBL6397281

SCHEMBL6397281

FC(F)(F)c1cc(OCCCCCBr)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.42
SOD1 P00441 1/20 0.41
RHOC P08134 1/20 0.40
RHOA P61586 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
NOS1 P29475 2/20 0.36
IDO1 P14902 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CES2 O00748 1/20 0.35
PLA2G2A P14555 1/20 0.34

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
SCHEMBL5725598 0.86 GPR84 (0.45) GPR84SOD1RHOCRHOAIDO1
SCHEMBL9215275 0.83 L3MBTL1 (0.55) L3MBTL1USP2LMNAHTTMRGPRX4
SCHEMBL8955457 0.81 PDK2 (0.43) GPR84SOD1RHOCRHOAHDAC3
SCHEMBL17233207 0.81 NOS1 (0.52) NOS1MRGPRX4
SCHEMBL6750419 0.81 NOS1 (0.52) NOS1MRGPRX4
SCHEMBL15519689 0.81 PDK2 (0.43) GPR84SOD1RHOCRHOAHDAC3
SCHEMBL9248280 0.81 PDK2 (0.43) GPR84SOD1RHOCRHOAHDAC3
SCHEMBL4104367 0.81 NOS1 (0.52) NOS1MRGPRX4
SCHEMBL31706291 0.81 NOS1 (0.52) NOS1MRGPRX4
SCHEMBL8778582 0.81 GPR84 (0.42) GPR84SOD1RHOCRHOAHDAC3

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-20050054629-A1 Compounds and methods of treating cell proliferative diseases EXONHIT THERAPEUTICS SA (FR) 2005-03-10 US disclosed
EP-1480966-A1 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES Exonhit Therapeutics S.A. (FR) 2004-12-01 EP disclosed
WO-2003074508-A1 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES EXONHIT THERAPEUTICS SA (FR) 2003-09-12 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-20050054629-A1 Compounds and methods of treating cell proliferative diseases MKI67, CCNC, PCNA GPR84 3854/4885SOD1 3566/4885RHOC 653/4885

“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.