SCHEMBL745668

SCHEMBL745668

CCOC(C)CCCC=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
HIF1A Q16665 1/20 0.38
MAPT P10636 1/20 0.36
FAAH O00519 2/20 0.35
TRPV1 Q8NER1 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.31

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
SCHEMBL745664 0.86
SCHEMBL215741 0.82 TSHR (0.48) TSHRHIF1AMAPTFAAHTRPV1
SCHEMBL2853062 0.80 TSHR (0.44) TSHRHIF1AMAPTFAAHTRPV1
SCHEMBL214617 0.78 TSHR (0.33) TSHRHIF1AMAPTLMNA
SCHEMBL216646 0.78 TSHR (0.33) TSHRHIF1AMAPTLMNA
SCHEMBL214596 0.78 TSHR (0.33) TSHRHIF1AMAPTLMNA
SCHEMBL10763677 0.78 LMNA (0.46) TSHRHIF1AMAPTFAAHTRPV1
SCHEMBL215495 0.77 TSHR (0.34) TSHRHIF1AMAPT
SCHEMBL14997310 0.77
Glutaral SCHEMBL7174412 0.77 LMNA (0.57) TSHRHIF1AMAPTFAAHTRPV1

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
EP-2430024-A1 [1,2,4]TRIAZOLO [4,3-B]PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR AstraZeneca AB (SE) 2012-03-21 EP disclosed
WO-2010131022-A1 [1,2,4] TRIAZOLO [4,3-B] PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292222-A1 CHEMICAL COMPOUNDS 751 ASTRAZENECA AB (SE) 2010-11-18 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-20100292222-A1 CHEMICAL COMPOUNDS 751 AR, NR5A1, KLK3 TSHR 907/4885HIF1A 565/4885MAPT 2874/4885

“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.