SCHEMBL2537599

SCHEMBL2537599

Cc1ccc(C2CCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.52
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ESR2 Q92731 7/20 0.47
ESR1 P03372 5/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HTT P42858 2/20 0.42
RAB9A P51151 2/20 0.42
ACHE P22303 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAP1LC3B Q9GZQ8 1/20 0.40

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
SCHEMBL43080 0.95 SLC18A3 (0.56) SLC18A3ALDH1A1LMNATP53MAPT
SCHEMBL346325 0.92 LMNA (0.59) SLC18A3ALDH1A1LMNATP53MAPT
SCHEMBL8025878 0.92 LMNA (0.59) SLC18A3ALDH1A1LMNATP53MAPT
SCHEMBL28722738 0.92 LMNA (0.59) SLC18A3ALDH1A1LMNATP53MAPT
SCHEMBL1405569 0.89 ESR2 (0.50) SLC18A3ALDH1A1LMNATP53MAPT
SCHEMBL18117721 0.86 MAPT (0.54) SLC18A3ALDH1A1LMNATP53MAPT
SCHEMBL5886587 0.86 ESR2 (0.56) LMNAMAPTESR2ESR1CYP3A4
Bicarbonate SCHEMBL9685458 0.84 SLC18A3 (0.53) SLC18A3ALDH1A1LMNATP53MAPT
SCHEMBL5148273 0.83 ESR2 (0.60) LMNAESR2ESR1CYP3A4CYP2D6
SCHEMBL21568471 0.83 ALDH1A1 (0.41) SLC18A3ALDH1A1LMNATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298387-A1 IL-8 Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2010-11-25 US claimed
EP-2099300-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2009-09-16 EP claimed
WO-2008070707-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO claimed
EP-3878446-A1 HSD11B1 INHIBITORS FOR USE IN IMMUNOTHERAPY AND USES THEREOF UNIVERSITE DE GENEVE (CH) 2021-09-15 EP disclosed
CN-109206444-A Photic contraction metal organic framework compound 苏州大学 2019-01-15 CN disclosed
CN-108699048-A Oxadiazolamide derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same 株式会社钟根堂 2018-10-23 CN disclosed
CN-108623425-A Method for constructing four-membered ring by visible light catalysis [2+2] reaction 中国科学院理化技术研究所 2018-10-09 CN disclosed
US-8044075-B2 IL-8 receptor antagonists GLAXOSMITHKLINE (US) 2011-10-25 US disclosed
US-20100298387-A1 IL-8 Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2010-11-25 US disclosed
EP-2099300-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2009-09-16 EP disclosed
WO-2008117148-A1 SUBSTITUTED OXADIAZOLE ANALOGS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-10-02 WO disclosed
WO-2008070707-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 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-20100298387-A1 IL-8 Receptor Antagonists CXCL8, CCR8, IL1RN SLC18A3 2637/4885ALDH1A1 2969/4885LMNA 4383/4885

“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.