SCHEMBL6014427

SCHEMBL6014427

CC#CNCCC(O)C(O)C(O)CCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 3/20 0.39
SLC6A4 P31645 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
KCNH2 Q12809 2/20 0.39
OPRK1 P41145 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CYP2C19 P33261 2/20 0.36
ADRA1A P35348 2/20 0.36
LMNA P02545 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36

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
SCHEMBL4253869 0.78 ATM (0.54) SLC6A2CYP3A4CYP2D6KCNH2TSHR
SCHEMBL6014375 0.72 SIGMAR1 (0.59) MEN1KMT2AL3MBTL1
SCHEMBL5787858 0.72 CSNK1E (0.51) SLC6A2SLC6A3SLC6A4CYP3A4CYP2D6
SCHEMBL7268763 0.72 TDP1 (0.52) SLC6A2SLC6A3SLC6A4CYP3A4CYP2D6
SCHEMBL30146557 0.72 TDP1 (0.52) SLC6A2SLC6A3SLC6A4CYP3A4CYP2D6
SCHEMBL30146580 0.72 TDP1 (0.52) SLC6A2SLC6A3SLC6A4CYP3A4CYP2D6
SCHEMBL5788436 0.71 CSNK1E (0.58) KCNH2OPRK1HPGDCYP2C19HTR2A
Hydrochloric Acid SCHEMBL9848355 0.70 MAOB (0.50) SLC6A2SLC6A3SLC6A4CYP3A4CYP2D6
SCHEMBL5787579 0.70 CSNK1E (0.60) KCNH2HPGDCYP2C19HTR2ACYP2C9
SCHEMBL5788787 0.70 CSNK1E (0.60) KCNH2HPGDCYP2C19HTR2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078406-B2 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. (US) 2006-07-18 US disclosed
US-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes Life Technologies Corporation 2004-12-09 US disclosed
US-6815445-B2 FOR USE AS FLUORESCENCE DYES AND PROBES Life Technologies Corporation 2004-11-09 US disclosed
EP-1442027-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-08-04 EP disclosed
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-05 US disclosed
WO-2003031419-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-04-17 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 (2 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-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 SLC6A2 4433/4885SLC6A3 4333/4885SLC6A4 3578/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 SLC6A2 4433/4885SLC6A3 4333/4885SLC6A4 3578/4885

“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.