SCHEMBL6451968

SCHEMBL6451968

O=C(C=CO)c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.64
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
MAPT P10636 2/20 0.52
MAOA P21397 3/20 0.51
MAOB P27338 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CYP1A1 P04798 1/20 0.51
CYP1B1 Q16678 1/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
STAT1 P42224 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49

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
SCHEMBL6989990 0.88 TNFRSF1A (0.72) TNFRSF1ACYP1A2CYP2C19CES2CES1
SCHEMBL6989989 0.88 TNFRSF1A (0.72) TNFRSF1ACYP1A2CYP2C19CES2CES1
SCHEMBL28024599 0.82 TNFRSF1A (0.64) TNFRSF1ACYP1A2CYP2C19CES2CES1
SCHEMBL23137323 0.81 ALDH1A1 (0.50) TNFRSF1ACYP1A2CYP2C19MAPTMAOA
SCHEMBL23137322 0.81 ALDH1A1 (0.50) TNFRSF1ACYP1A2CYP2C19MAPTMAOA
SCHEMBL25191785 0.81 TNFRSF1A (0.86) TNFRSF1ACYP2C19MAPTMAOAMAOB
SCHEMBL9798239 0.80 TNFRSF1A (0.62) TNFRSF1ACYP1A2CYP2C19CES2CES1
SCHEMBL956091 0.80 CYP1A2 (0.63) TNFRSF1ACYP1A2CYP2C19CES2CES1
SCHEMBL20273264 0.80 TNFRSF1A (0.62) TNFRSF1ACYP1A2CYP2C19CES2CES1
SCHEMBL6942827 0.80 ALDH1A1 (0.67) TNFRSF1ACYP1A2CYP2C19CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601678-A2 FUSED PYRROLE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2005-12-07 EP disclosed
US-20050014754-A1 Fused pyrrole compounds SYNTA PHARMACEUTICALS CORP. 2005-01-20 US disclosed
WO-2004082606-A2 FUSED PYRROLE COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2004-09-30 WO disclosed
US-5629332-A FUNGICIDES NIHON NOHYAKU CO., LTD. (JP) 1997-05-13 US disclosed
EP-0679647-A1 Novel antifungal triazole compound and production and use thereof NIHON NOHYAKU CO., LTD. (JP) 1995-11-02 EP 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-20050014754-A1 Fused pyrrole compounds PDE4A, PDE4B, IL4 TNFRSF1A 42/4885CYP1A2 335/4885CYP2C19 322/4885

“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.