SCHEMBL4414308

SCHEMBL4414308

O=C(O)CCCCC(Br)Br

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
NFKB1 P19838 2/20 0.55
TSHR P16473 2/20 0.55
PMP22 Q01453 1/20 0.55
GSTK1 Q9Y2Q3 2/20 0.52
SLC22A6 Q4U2R8 2/20 0.50
ENPEP Q07075 1/20 0.50
FFAR4 Q5NUL3 2/20 0.48
FFAR1 O14842 2/20 0.48
ALDH1A1 P00352 2/20 0.47
GPR84 Q9NQS5 2/20 0.46
AKR1B1 P15121 1/20 0.46
CYP2D6 P10635 1/20 0.46
FOLH1 Q04609 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 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
SCHEMBL7755706 0.92
SCHEMBL28788170 0.82 LMNA (0.55) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL27814651 0.82 LMNA (0.55) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL3643415 0.80
SCHEMBL11536608 0.80 LCK (0.59) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL3059051 0.80 LMNA (0.52) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL30945134 0.80 LMNA (0.52) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL4655081 0.80 LMNA (0.52) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL27528132 0.79 LTA4H (0.33) LMNAGSTK1ENPEPFFAR4FFAR1
SCHEMBL23829849 0.78 TSHR (0.55) LMNANFKB1TSHRPMP22GSTK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485742-B2 Non-glycosidic and non-peptidic inhibitors of selectin, and the use thereof Johannes Gutenberg-Universität Mainz (DE) 2009-02-03 US disclosed
US-20070276036-A1 Non-Glycosidic and Non-Peptidic Select Inhibitors, and the Use Thereof JOHANNES GUTENBERG-UNIVERSITAT MAINZ (DE) 2007-11-29 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-20070276036-A1 Non-Glycosidic and Non-Peptidic Select Inhibitors, and the Use Thereof VCAM1, ICAM1, SELPLG LMNA 3043/4885NFKB1 1495/4885TSHR 4686/4885

“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.