SCHEMBL13166019

SCHEMBL13166019

CCC[C@H](C)Cc1ccc(OC)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
LDHA P00338 1/20 0.43
CYP17A1 P05093 1/20 0.41
DBH P09172 1/20 0.41
FOS P01100 1/20 0.41
TTR P02766 1/20 0.41
JUN P05412 1/20 0.41
NR3C1 P04150 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41

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
SCHEMBL13166035 1.00 TAS1R3 (0.47) TAS1R3TAS1R1ALOX15ALOX12KDM4E
SCHEMBL19003555 0.91 SIGMAR1 (0.43) TAS1R3TAS1R1ALOX15ALOX12KDM4E
SCHEMBL13003651 0.87 ALOX15 (0.46) ALOX15ALOX12KDM4EMITFALDH1A1
SCHEMBL11218889 0.87 ALOX15 (0.46) ALOX15ALOX12KDM4EMITFALDH1A1
SCHEMBL23095177 0.82 ALDH1A1 (0.36) ALOX15ALOX12KDM4EALDH1A1HTT
SCHEMBL8244070 0.82 ALOX15 (0.50) ALOX15ALOX12KDM4EMITFALDH1A1
SCHEMBL22184303 0.81 ALOX15 (0.69) ALOX15ALOX12FOSTTRJUN
SCHEMBL20061670 0.79 ALOX15 (0.60) ALOX15ALOX12KDM4EMITFALDH1A1
SCHEMBL10839557 0.79 SLC6A4 (0.53) ALOX15ALOX12
SCHEMBL10839564 0.79 SLC6A4 (0.53) ALOX15ALOX12

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-7803804-B2 Substituted pyrazines for use in the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2010-09-28 US disclosed
US-7803804-B2 Substituted pyrazines for use in the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2010-09-28 US disclosed
US-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
US-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 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-20080312217-A1 Organic Compounds TRPA1, TRPV1, CHRM1 TAS1R3 223/4885TAS1R1 128/4885ALOX15 378/4885

“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.