SCHEMBL6014562

SCHEMBL6014562

NCCCC1CC(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
PLG P00747 2/20 0.43
PLAT P00750 1/20 0.43
GABRR1 P24046 6/20 0.36
SLC6A12 P48065 3/20 0.36
SLC6A11 P48066 3/20 0.36
SLC6A13 Q9NSD5 3/20 0.36
CYP1A2 P05177 2/20 0.36
GABRR2 P28476 2/20 0.36
THRB P10828 2/20 0.36
BLM P54132 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GABRR3 A8MPY1 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
HDAC3 O15379 1/20 0.36
GABBR2 O75899 1/20 0.36
GABRA1 P14867 1/20 0.36
TSHR P16473 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
SCHEMBL9293064 0.86 PLG (0.46) LMNAPLGPLATGABRR1SLC6A12
SCHEMBL9504339 0.79 PLG (0.50) LMNAPLGPLATGABRR1GABRR2
SCHEMBL8774016 0.78 MAPT (0.42) LMNACYP1A2TSHRALDH1A1
SCHEMBL17610100 0.78 MAPT (0.42) LMNACYP1A2TSHRALDH1A1
SCHEMBL9293902 0.77 ANPEP (0.50) LMNAPLGPLATANPEPSIGMAR1
SCHEMBL8773987 0.77 ALOX5 (0.47) CYP1A2KMT2ATSHRALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL8774105 0.77 MAPT (0.41) LMNACYP1A2TSHRALDH1A1
SCHEMBL8774187 0.77 ALOX5 (0.47) CYP1A2KMT2ATSHRALDH1A1CYP2D6
SCHEMBL8773985 0.77 ALOX5 (0.47) CYP1A2KMT2ATSHRALDH1A1CYP2D6
SCHEMBL1933314 0.77

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-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
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-05 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 (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 LMNA 1981/4885PLG 4525/4885PLAT 4351/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 LMNA 1981/4885PLG 4525/4885PLAT 4351/4885

“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.