SCHEMBL7044827

SCHEMBL7044827

CCCCOCC(=O)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
HPGD P15428 2/20 0.50
GSK3B P49841 2/20 0.47
RARB P10826 1/20 0.47
MMP1 P03956 1/20 0.47
HDAC3 O15379 4/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
NCOR2 Q9Y618 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL28573354 0.85 HPGD (0.49) RAB9ANPC1HPGDGSK3BHDAC3
SCHEMBL18917595 0.85 L3MBTL1 (0.63) RARBMMP1L3MBTL1PLA2G4BTSHR
SCHEMBL28697442 0.83 HDAC3 (0.54) HPGDGSK3BHDAC3HDAC1HDAC2
SCHEMBL1742078 0.83 TSHR (0.49) RAB9ANPC1HPGDRARBL3MBTL1
SCHEMBL866784 0.82 GSK3B (0.61) RAB9ANPC1HPGDGSK3BHDAC3
SCHEMBL28933513 0.80 TP53 (0.53) HPGDGSK3BHDAC3HDAC1HDAC2
SCHEMBL28707265 0.80 TP53 (0.53) HPGDGSK3BHDAC3HDAC1HDAC2
SCHEMBL28706742 0.80 TP53 (0.53) HPGDGSK3BHDAC3HDAC1HDAC2
SCHEMBL28686349 0.80 TP53 (0.53) HPGDGSK3BHDAC3HDAC1HDAC2
SCHEMBL28691184 0.80 TP53 (0.53) HPGDGSK3BHDAC3HDAC1HDAC2

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-20030130232-A1 Amidine derivatives, the preparation and use thereof as medicaments with LTB4 antagonistic effect BOEHRINGER INGELHEIM KG (DE) 2003-07-10 US disclosed
US-6489365-B1 LTB4-ANTAGONISTIC COMPOUNDS FOR TREATMENT OF INFLAMMATION, ALLERGY OR GASTROPATHY INDUCED BY NON-STEROIDAL ANTIINFLAMMATORY AGENTS IN A WARM-BLOODED ANIMALS BOEHRINGER INGELHEIM KG (DE) 2002-12-03 US disclosed
US-6037377-A ANTIINFLAMMATORY AGENTS AND ANTIALLERGENS BOEHRINGER INGELHEIM KG (DE) 2000-03-14 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-20030130232-A1 Amidine derivatives, the preparation and use thereof as medicaments with LTB4 antagonistic effect LTB4R2, LTB4R, LTA4H RAB9A 2391/4885NPC1 3145/4885HPGD 672/4885

“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.