SCHEMBL5218004

SCHEMBL5218004

Cc1cccc(OCCCO)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.43
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
GABRA5 P31644 1/20 0.41
HTR7 P34969 2/20 0.40
KDM1A O60341 1/20 0.39
PDE2A O00408 1/20 0.39
PDE10A Q9Y233 1/20 0.39
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL10842869 0.91 KMT2A (0.51) HSD17B3THRBKMT2AGABRA5HTR7
SCHEMBL12092893 0.83 GABRA5 (0.42) HSD17B3THRBKMT2AGABRA5HTR7
SCHEMBL9440370 0.83 LMNA (0.48) HSD17B3KMT2AGABRA5HTR7KDM1A
SCHEMBL5218001 0.81 HSD17B3 (0.43) HSD17B3GABRA5HTR7KDM1ACCR1
SCHEMBL8234821 0.81 GABRA5 (0.41) HSD17B3GABRA5HTR7KDM1ACCR1
SCHEMBL12093742 0.81 GRM5 (0.48) HSD17B3KMT2AGABRA5HTR7KDM1A
SCHEMBL24305930 0.80 MCHR1 (0.44) HSD17B3KMT2AGABRA5HTR7NPC1
SCHEMBL9440291 0.80 MCHR1 (0.44) HSD17B3KMT2AGABRA5HTR7NPC1
SCHEMBL5859072 0.79 HTR7 (0.44) HSD17B3GABRA5HTR7KDM1ACCR1
SCHEMBL12092900 0.79 TSHR (0.46) HSD17B3GABRA5HTR7KDM1ACCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100347169-C Quinazoline derivatives ASTRAZENECA AB (SE) 2007-11-07 CN disclosed
EP-1453492-B1 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-01-24 EP disclosed
US-7157467-B2 Administering compound such as 6-methoxy-4-(2,3-methylenedioxyanilino)-7-(3-morpholinopropoxy)quinazoline for therapy of an autoimmune disease or medical condition selected from transplant rejection and rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-02 US disclosed
US-7115615-B2 Quinazoline derivatives ASTRAZENECA (SE) 2006-10-03 US disclosed
US-20050014773-A1 Therapeutic use ASTRAZENACA AB (SE) 2005-01-20 US disclosed
EP-1453492-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES Astrazeneca AB (SE) 2004-09-08 EP disclosed
CN-1471527-A Quinazoline derivatives 2004-01-28 CN disclosed
WO-2003045364-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO disclosed
EP-1313727-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-05-28 EP disclosed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 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-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 HSD17B3 1782/4885THRB 2383/4885KMT2A 2659/4885

“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.