SCHEMBL14288596

SCHEMBL14288596

CCCc1cc(OC)ncc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.41
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
DHFR P00374 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
NNMT P40261 1/20 0.33
LOX P28300 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
ERN1 O75460 1/20 0.32
RPS6KA3 P51812 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 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
SCHEMBL16800619 0.85 NNMT (0.39) CYP3A4CYP2C9MTNR1AMTNR1BFFAR4
SCHEMBL3313569 0.81 NNMT (0.39) CYP3A4CYP2C9MTNR1AMTNR1BFFAR4
SCHEMBL30240885 0.80 CYP3A4 (0.37) CYP3A4CYP2C9MTNR1AMTNR1BFFAR4
SCHEMBL14288612 0.80 CYP3A4 (0.40) CYP3A4CYP2C9MTNR1AMTNR1BFFAR4
SCHEMBL3934065 0.80 NNMT (0.38) CYP3A4CYP2C9MTNR1AMTNR1BFFAR4
SCHEMBL3938113 0.80 CYP3A4 (0.37) CYP3A4CYP2C9MTNR1AMTNR1BFFAR4
SCHEMBL3932260 0.78 MTNR1A (0.41) HMGCRCYP3A4CYP2C9MTNR1AMTNR1B
SCHEMBL19237055 0.75 ALOX5 (0.40) CYP3A4TP53
SCHEMBL24853428 0.75 FFAR4 (0.44) MTNR1AMTNR1BFFAR4NNMTHSD17B10
SCHEMBL13414017 0.75 CYP3A4 (0.35) CYP3A4CYP2C9MTNR1AMTNR1BFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 US disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 HMGCR 166/4885CYP3A4 71/4885CYP2C9 142/4885

“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.