SCHEMBL6414100

SCHEMBL6414100

O=C(CC1CCCC1)C(=O)c1cccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
TSHR P16473 2/20 0.50
HSD17B10 Q99714 1/20 0.50
HPGD P15428 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
DAO P14920 1/20 0.43
GAA P10253 1/20 0.42
ERCC5 P28715 1/20 0.42

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
SCHEMBL6421225 0.93 CES2 (0.57) RAB9ANPC1L3MBTL1CES2CES1
SCHEMBL5046549 0.83 ALDH1A1 (0.57) RAB9ANPC1L3MBTL1CES2CES1
SCHEMBL29581744 0.77 HDAC1 (0.46)
SCHEMBL12262036 0.76 ALDH1A1 (0.60) RAB9ANPC1L3MBTL1CES2CES1
SCHEMBL29503067 0.76 HDAC1 (0.46)
SCHEMBL1066873 0.72 CES2 (1.00) RAB9ANPC1L3MBTL1CES2CES1
SCHEMBL7269478 0.72 RAB9A (0.46) RAB9ANPC1L3MBTL1TSHRHSD17B10
SCHEMBL28024080 0.72 RAB9A (0.55) RAB9ANPC1L3MBTL1TSHRHSD17B10
SCHEMBL10031582 0.72 CES2 (0.65) RAB9ANPC1CES2CES1TSHR
SCHEMBL30416294 0.71 CES2 (0.53) RAB9ANPC1CES2CES1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050048092-A1 Thienyl-pyrazoles and their use for controlling pests WADA KATSUAKI (JP) 2005-03-03 US disclosed
US-6593358-B1 Method for controlling pests, comprising the step of allowing a pesticidally effective amount of one or more compounds selected from the group consisting of one or more compounds of the formula (Ia) according to claim 2 and one or compounds NIHON BAYER AGROCHEM K.K. (JP) 2003-07-15 US disclosed
EP-1200425-A1 THIENYL-PYRAZOLES AND THEIR USE FOR CONTROLLING PESTS NIHON BAYER AGROCHEM K.K. (JP) 2002-05-02 EP disclosed
WO-2001005787-A1 THIENYL-PYRAZOLES AND THEIR USE FOR CONTROLLING PESTS NIHON BAYER AGROCHEM K.K. (DE) 2001-01-25 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-20050048092-A1 Thienyl-pyrazoles and their use for controlling pests CBR3, C1S, CYP4B1 RAB9A 400/4885NPC1 2514/4885L3MBTL1 113/4885

“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.