SCHEMBL5736161

SCHEMBL5736161

CC(C)c1ccc(-c2[c]ccc(C(C)(C)C)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 2/20 0.34
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
TNKS O95271 1/20 0.31
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
NOTUM Q6P988 2/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL9600544 0.84 KIF11 (0.41) AKR1C2CYP2D6NOTUMNPC1TP53
SCHEMBL4951261 0.83 KIF11 (0.35) PTPN5AKR1C3AKR1C2NPC1TP53
SCHEMBL7647650 0.83 MEN1 (0.35) NOTUMNPC1RAB9A
SCHEMBL5521594 0.81 TSHR (0.45) NPC1RAB9ANPSR1
SCHEMBL3816568 0.81 PTPN5 (0.37) PTPN5AKR1C3AKR1C2CYP2D6CYP2C9
SCHEMBL6494848 0.80 LMNA (0.36) PTPN5CYP2C9HIF1ATNKSPARP1
SCHEMBL6535998 0.80 MEN1 (0.38) AKR1C3AKR1C2CYP2C9TP53
SCHEMBL9598451 0.79 RXRA (0.42) NPC1RAB9A
SCHEMBL9600261 0.79 KCNH2 (0.36) TNKSPARP1TNKS2NPC1RAB9A
SCHEMBL9600296 0.79 ALDH1A1 (0.31) HIF1A

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-1105375-B1 TRIFLUOROMETHYLPYRROLCARBOXAMIDES USEFUL AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-02-22 EP disclosed
US-6365620-B2 Trifluoromethylpyrrolcarboxamides SYNGENTA CROP PROTECTION, INC. 2002-04-02 US disclosed
US-20020019541-A1 Trifluoromethylpyrrolcarboxamides EBERLE MARTIN (CH) 2002-02-14 US disclosed
EP-1105375-A1 TRIFLUORO METHYLPYRROL CARBOXAMIDES Syngenta Participations AG (CH) 2001-06-13 EP disclosed
WO-2000009482-A1 TRIFLUORO METHYLPYRROL CARBOXAMIDES SYNGENTA PARTICIPATIONS AG (CH) 2000-02-24 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-20020019541-A1 Trifluoromethylpyrrolcarboxamides CBR3, CBR1, DDT PTPN5 2878/4885AKR1C3 493/4885AKR1C2 788/4885

“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.