SCHEMBL4155993

SCHEMBL4155993

O=C(O)C1CC(F)(F)C1(F)Cl

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.33
CYP2C19 P33261 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
SLC6A4 P31645 1/20 0.32
APLNR P35414 1/20 0.31

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
Hydrochloric Acid SCHEMBL11782385 0.98 GRM4 (0.32) GRM4CYP2C19ALDH1A1CYP1A2MEN1
SCHEMBL11782371 0.81 CHRNB2 (0.31)
SCHEMBL1888094 0.77
SCHEMBL1577558 0.77
SCHEMBL301867 0.77
SCHEMBL1578039 0.77
SCHEMBL1577772 0.77
SCHEMBL10704644 0.75 CYP2C19 (0.36) GRM4CYP2C19ALDH1A1CYP1A2MEN1
Hydrochloric Acid SCHEMBL7755247 0.73 CYP2C19 (0.35) GRM4CYP2C19ALDH1A1CYP1A2MEN1
SCHEMBL31190775 0.73 APLNR (0.42) GRM4CYP2C19ALDH1A1CYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 US disclosed
CN-101072787-A Substituted adenines and the use thereof ASTRAZENECA AB (SE) 2007-11-14 CN disclosed
EP-1805196-A1 SUBSTITUTED ADENINES AND THE USE THEREOF AstraZeneca AB (SE) 2007-07-11 EP disclosed
WO-2006040558-A1 SUBSTITUTED ADENINES AND THE USE THEREOF ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
US-4051118-A Water-soluble disazo dyestuffs containing a 3- or 4-[pyrazolylene-(1)-benzoylamino]-6-sulphophenyl moiety CIBA-GEIGY AG (CH) 1977-09-27 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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 GRM4 4494/4885CYP2C19 337/4885ALDH1A1 355/4885

“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.