SCHEMBL4187835

SCHEMBL4187835

O=C(c1ccccc1)c1c(F)cc(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
SRD5A2 P31213 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PBRM1 Q86U86 1/20 0.44
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
AKR1C3 P42330 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
AKR1B1 P15121 1/20 0.42
DAO P14920 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL14431515 0.83 BCL2L1 (0.48) CNR1CNR2NPC1RAB9ACES2
SCHEMBL1420986 0.82 ALDH1A1 (0.59) ALDH1A1ATMTDP1L3MBTL1SRD5A2
SCHEMBL28085787 0.81 MAPK1 (0.50) ALDH1A1ATMTDP1CNR1CNR2
SCHEMBL10029664 0.81 CES2 (0.48) CES2CES1KMT2AGAA
SCHEMBL31052951 0.80 ATM (0.67) ALDH1A1ATMTDP1L3MBTL1CNR1
SCHEMBL2012795 0.80 CNR1 (0.68) ALDH1A1ATMTDP1L3MBTL1CNR1
SCHEMBL23497897 0.79 F2 (0.45) ALDH1A1TDP1CNR1CNR2NPC1
SCHEMBL158348 0.78 CES2 (0.59) ALDH1A1ATMTDP1L3MBTL1SRD5A2
SCHEMBL29765677 0.78 CES2 (0.59) ALDH1A1ATMTDP1L3MBTL1SRD5A2
Biphenyl SCHEMBL2838517 0.77 AKR1C2 (0.50) ALDH1A1ATMMEN1KMT2AHPGD

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
US-20090192163-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-07-30 US disclosed
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO 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-20090192163-A1 Novel Compounds PAH, PC, DDC ALDH1A1 128/4885ATM 3564/4885TDP1 3667/4885

“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.