SCHEMBL6479545

SCHEMBL6479545

OCCCCc1ccc(OCCBr)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP1 P29466 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SLCO1B3 Q9NPD5 1/20 0.53
SLCO1B1 Q9Y6L6 1/20 0.53
LTA4H P09960 1/20 0.51
EPHX2 P34913 1/20 0.51
FFAR1 O14842 2/20 0.47
HRH3 Q9Y5N1 3/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
CA2 P00918 2/20 0.42
S1PR1 P21453 2/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL21483679 0.87 LTA4H (0.57) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL100184 0.87 HRH3 (0.53) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL4939834 0.86 LTA4H (0.56) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL11366627 0.85 LTA4H (0.58) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL3162199 0.83 LTA4H (0.59) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL28934486 0.83 LTA4H (0.65) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL18804815 0.82 MEN1 (0.56) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL30101910 0.82 ALDH1A1 (0.65) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL962262 0.81 HRH3 (0.55) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL4870501 0.81 LTA4H (0.62) MEN1USP2ALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894059-B1 Compounds and methods for treatment of asthma, allergy and inflammatory disorders UCB S.A. (BE) 2005-05-17 US disclosed
EP-1165533-B1 COMPOUNDS AND METHODS FOR TREATMENT OF ASTHMA, ALLERGY AND INFLAMMATORY DISORDERS UCB SA (BE) 2004-10-13 EP disclosed
US-6797713-B2 Compounds and methods for treatment of asthma, allergy and inflammatory disorders UCB S.A. (BE) 2004-09-28 US disclosed
EP-1418173-A1 N-(3-butyn-1-yl) N-hydroxyurea UCB, S.A. (BE) 2004-05-12 EP disclosed
US-6686502-B1 N-HYDROXYL-N-(3-BUTYNYL)-UREA CHEMICAL INTERMEDIATE FOR PIPERIDINE OR PIPERAZINE DERIVATIVES UCB S.A. (BE) 2004-02-03 US disclosed
US-20030220347-A1 Compounds and methods for treatment of asthma, allergy and inflammatory disorders UCB S.A. 2003-11-27 US disclosed
US-6451801-B1 1,4-SUBSTITUTED PIPERIDINES AND PIPERAZINES UCB, S.A. (BE) 2002-09-17 US disclosed
EP-1165533-A2 COMPOUNDS AND METHODS FOR TREATMENT OF ASTHMA, ALLERGY AND INFLAMMATORY DISORDERS UCB, S.A. (BE) 2002-01-02 EP disclosed
WO-2000058295-A2 COMPOUNDS AND METHODS FOR TREATMENT OF ASTHMA, ALLERGY AND INFLAMMATORY DISORDERS UCB, S.A. (BE) 2000-10-05 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-20030220347-A1 Compounds and methods for treatment of asthma, allergy and inflammatory disorders HRH4, HRH2, HRH3 MEN1 2857/4885USP2 3289/4885ALDH1A1 3212/4885

“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.