SCHEMBL5670904

SCHEMBL5670904

O=[C]C(Cc1ccccc1)(OCC(F)(F)F)OCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
CES1 P23141 5/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
TSHR P16473 1/20 0.33
FDPS P14324 1/20 0.33
SLC6A2 P23975 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PLAAT3 P53816 1/20 0.33
PLAAT5 Q96KN8 1/20 0.33
PLAAT2 Q9NWW9 1/20 0.33
PLAAT4 Q9UL19 1/20 0.33
FAAH O00519 3/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
FABP7 O15540 1/20 0.32
MLYCD O95822 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL8719972 0.71 CYP1A2 (0.42) PTPN1TSHRSLC6A2TAAR1ALDH1A1
SCHEMBL185769 0.68 SLC6A2 (0.50) CES1SMN1; SMN2HIF1ATSHRFDPS
SCHEMBL2137951 0.66 SMN1; SMN2 (0.45) CES1SMN1; SMN2HIF1ATSHRFDPS
Ammonia Solution, Strong SCHEMBL29253660 0.66 SLC6A2 (0.48) CES1SMN1; SMN2HIF1ATSHRFDPS
SCHEMBL5670917 0.66 ALDH1A1 (0.39) PTPN1SMN1; SMN2TSHRALDH1A1FABP7
SCHEMBL24690689 0.64 CA1 (0.41) CES1SMN1; SMN2TSHRTAAR1ALDH1A1
SCHEMBL29127741 0.64 L3MBTL1 (0.46) SMN1; SMN2TSHRSLC6A2TAAR1ALDH1A1
Hydrochloric Acid SCHEMBL29076224 0.64 SLC6A2 (0.46) CES1SMN1; SMN2HIF1ATSHRFDPS
SCHEMBL31247980 0.64 SLC6A2 (0.46) PTPN1CES1SMN1; SMN2HIF1ATSHR
SCHEMBL5610133 0.64 CES1 (0.46) PTPN1CES1SMN1; SMN2HIF1AFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079699-A1 Intermediate compounds and methods for synthesizing chemiluminescent dioxetane substrates APPLIED BIOSYSTEMS, LLC 2006-04-13 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-20060079699-A1 Intermediate compounds and methods for synthesizing chemiluminescent dioxetane substrates CYP19A1, CYP11B1, DLD PTPN1 3068/4885CES1 1077/4885SMN1; SMN2 4339/4885

“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.