SCHEMBL3931471

SCHEMBL3931471

COC(=O)CCc1cc(F)cc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
METAP2 P50579 2/20 0.40
MAPT P10636 2/20 0.39
TBXAS1 P24557 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EGFR P00533 2/20 0.39
FFAR4 Q5NUL3 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TSHR P16473 1/20 0.38
KAT2B Q92831 1/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL28312879 0.88 L3MBTL1 (0.57) L3MBTL1CYP11B1CYP11B2MAPTTBXAS1
Hydrochloric Acid SCHEMBL5254248 0.86 TSHR (0.43) CYP11B1CYP11B2MAPTALDH1A1MEN1
SCHEMBL31249653 0.83 HSP90AB1 (0.53) L3MBTL1METAP2MAPTALDH1A1FFAR4
SCHEMBL1524738 0.83 HSP90AB1 (0.53) L3MBTL1METAP2MAPTALDH1A1FFAR4
SCHEMBL16319065 0.82 HSP90AB1 (0.51) CYP11B1CYP11B2MAPTALDH1A1FFAR4
SCHEMBL4055572 0.81 CYP4F2 (0.44) CYP11B1CYP11B2MAPTALDH1A1FFAR4
SCHEMBL22300585 0.81 CYP11B1 (0.39) CYP11B1CYP11B2MAPTALDH1A1KMT2A
SCHEMBL3940515 0.81 CNR1 (0.47) L3MBTL1CYP11B1CYP11B2MAPTALDH1A1
SCHEMBL3930469 0.80 FFAR4 (0.47) FFAR4
SCHEMBL3932054 0.78 CYP3A4 (0.44) CYP11B1CYP11B2ALDH1A1FFAR4TSHR

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
CN-101501030-A Pyrimidine derivatives useful in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-05 CN disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
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

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 L3MBTL1 4825/4885CYP11B1 2/4885CYP11B2 1/4885

“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.