SCHEMBL7044825

SCHEMBL7044825

O=C(COCCCCBr)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.52
PTPN1 P18031 2/20 0.52
TDP1 Q9NUW8 5/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
CES1 P23141 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 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
SCHEMBL11617258 0.91 TDP1 (0.55) GSK3BPTPN1TDP1NPC1RAB9A
SCHEMBL10661203 0.84 ALDH1A1 (0.50) GSK3BPTPN1TDP1NPC1RAB9A
SCHEMBL524255 0.84 CES2 (0.50) LMNAMAPK1CYP3A4CES1ALDH1A1
SCHEMBL8889723 0.83 CES2 (0.53) TDP1L3MBTL1MAPTLMNAMAPK1
SCHEMBL9695930 0.83 CES2 (0.53) TDP1L3MBTL1MAPTLMNAMAPK1
SCHEMBL10498007 0.83 CES2 (0.53) TDP1L3MBTL1MAPTLMNAMAPK1
SCHEMBL9414538 0.83 CES2 (0.53) TDP1L3MBTL1MAPTLMNAMAPK1
SCHEMBL9280452 0.83 CES2 (0.53) TDP1L3MBTL1MAPTLMNAMAPK1
Pentane SCHEMBL28744442 0.83 CES2 (0.49) LMNAMAPK1CYP3A4CES1ALDH1A1
SCHEMBL10497507 0.83 CES2 (0.53) TDP1L3MBTL1MAPTLMNAMAPK1

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 6 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
EP-0902013-B1 Novel amidine derivatives, their preparation and their use as medicaments with LTB-4 antagonistic effect BOEHRINGER INGELHEIM INT (DE) 2001-12-12 EP disclosed
US-6037377-A ANTIINFLAMMATORY AGENTS AND ANTIALLERGENS BOEHRINGER INGELHEIM KG (DE) 2000-03-14 US disclosed
EP-0625138-B1 NOVEL AMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS WITH LTB4 ANTAGONISTIC EFFECT BOEHRINGER INGELHEIM INT (DE) 1999-06-02 EP disclosed
EP-0902013-A1 Novel amidine derivatives, their preparation and their use as medicaments with LTB-4 antagonistic effect BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 1999-03-17 EP 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 GSK3B 4115/4885PTPN1 2020/4885TDP1 3785/4885

“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.